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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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/Science_glows-27e7444d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science_glows-27e7444d/inputs/seq.fa: 1 curr_seq: _CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGGGCUAACUAGGAACCUCCGCGAAAGCGGUGAAGGAGAGGCGCAAGGUUAACCGCCUCAGGUUCCAGCGAAGAGUUCGCUCUUCGCAAAGGCCUCCGCGAAAGCGGUGAAGGAGCGCCACAAGGUUAACUGGCGCAGGCCUUAAGUUAGCC 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 152 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: 765 n_atoms_counter: 765 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 152.000000 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: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 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: 1 Temperature: 1.000000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 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: 1 Temperature: 1.350000 Total energy: -591.895893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895893 (E_RNA) where: Base-Base interactions energy: -0.169 where: short stacking energy: -0.169 Base-Backbone interact. energy: -0.000 local terms energy: -591.727149 where: bonds (distance) C4'-P energy: -147.680 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -127.661 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -815.828060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.828060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.828060 (E_RNA) where: Base-Base interactions energy: -384.047 where: short stacking energy: -383.474 Base-Backbone interact. energy: -0.018 local terms energy: -431.762884 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -96.236 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -90.302 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: 2 Temperature: 0.950000 Total energy: -755.088650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.088650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.088650 (E_RNA) where: Base-Base interactions energy: -331.675 where: short stacking energy: -331.675 Base-Backbone interact. energy: -0.071 local terms energy: -423.342545 where: bonds (distance) C4'-P energy: -99.214 bonds (distance) P-C4' energy: -83.770 flat angles C4'-P-C4' energy: -98.739 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -73.397 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -707.500835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.500835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.500835 (E_RNA) where: Base-Base interactions energy: -297.871 where: short stacking energy: -296.268 Base-Backbone interact. energy: 0.293 local terms energy: -409.922724 where: bonds (distance) C4'-P energy: -89.464 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -93.332 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -72.689 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -659.864527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.864527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.864527 (E_RNA) where: Base-Base interactions energy: -269.560 where: short stacking energy: -269.493 Base-Backbone interact. energy: -0.281 local terms energy: -390.023668 where: bonds (distance) C4'-P energy: -79.137 bonds (distance) P-C4' energy: -102.280 flat angles C4'-P-C4' energy: -90.617 flat angles P-C4'-P energy: -52.154 tors. eta vs tors. theta energy: -65.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -619.171634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.171634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.171634 (E_RNA) where: Base-Base interactions energy: -103.498 where: short stacking energy: -103.498 Base-Backbone interact. energy: -0.000 local terms energy: -515.673280 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -106.923 flat angles C4'-P-C4' energy: -115.036 flat angles P-C4'-P energy: -111.459 tors. eta vs tors. theta energy: -73.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -602.462525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.462525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.462525 (E_RNA) where: Base-Base interactions energy: -61.100 where: short stacking energy: -61.100 Base-Backbone interact. energy: -0.000 local terms energy: -541.361929 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -112.400 flat angles P-C4'-P energy: -119.822 tors. eta vs tors. theta energy: -72.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -597.499714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.499714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.499714 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.573 Base-Backbone interact. energy: -0.000 local terms energy: -588.926396 where: bonds (distance) C4'-P energy: -147.101 bonds (distance) P-C4' energy: -134.856 flat angles C4'-P-C4' energy: -111.742 flat angles P-C4'-P energy: -127.106 tors. eta vs tors. theta energy: -68.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -598.340369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.340369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.340369 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.000 local terms energy: -587.352218 where: bonds (distance) C4'-P energy: -145.743 bonds (distance) P-C4' energy: -134.595 flat angles C4'-P-C4' energy: -111.778 flat angles P-C4'-P energy: -126.879 tors. eta vs tors. theta energy: -68.357 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -598.090220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.090220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.090220 (E_RNA) where: Base-Base interactions energy: -11.259 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.000 local terms energy: -586.830921 where: bonds (distance) C4'-P energy: -145.743 bonds (distance) P-C4' energy: -134.074 flat angles C4'-P-C4' energy: -111.778 flat angles P-C4'-P energy: -126.879 tors. eta vs tors. theta energy: -68.357 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: 2 Temperature: 1.350000 Total energy: -606.776884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.776884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.776884 (E_RNA) where: Base-Base interactions energy: -144.501 where: short stacking energy: -144.501 Base-Backbone interact. energy: -0.001 local terms energy: -462.275426 where: bonds (distance) C4'-P energy: -107.976 bonds (distance) P-C4' energy: -96.309 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -94.859 tors. eta vs tors. theta energy: -65.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -832.174709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.174709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.174709 (E_RNA) where: Base-Base interactions energy: -382.838 where: short stacking energy: -382.841 Base-Backbone interact. energy: -0.316 local terms energy: -449.021200 where: bonds (distance) C4'-P energy: -93.831 bonds (distance) P-C4' energy: -106.875 flat angles C4'-P-C4' energy: -90.124 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -91.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -784.546299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.546299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.546299 (E_RNA) where: Base-Base interactions energy: -373.077 where: short stacking energy: -332.190 Base-Backbone interact. energy: -0.526 local terms energy: -410.943397 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -88.785 flat angles P-C4'-P energy: -73.462 tors. eta vs tors. theta energy: -72.010 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: 3 Temperature: 1.000000 Total energy: -708.992804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.992804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.992804 (E_RNA) where: Base-Base interactions energy: -335.007 where: short stacking energy: -290.591 Base-Backbone interact. energy: 0.018 local terms energy: -374.004182 where: bonds (distance) C4'-P energy: -89.373 bonds (distance) P-C4' energy: -80.877 flat angles C4'-P-C4' energy: -96.920 flat angles P-C4'-P energy: -56.994 tors. eta vs tors. theta energy: -49.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -687.472018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.472018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.472018 (E_RNA) where: Base-Base interactions energy: -327.625 where: short stacking energy: -243.299 Base-Backbone interact. energy: -0.142 local terms energy: -359.705472 where: bonds (distance) C4'-P energy: -88.133 bonds (distance) P-C4' energy: -98.721 flat angles C4'-P-C4' energy: -86.447 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -26.663 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -607.460317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.460317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.460317 (E_RNA) where: Base-Base interactions energy: -254.411 where: short stacking energy: -239.267 Base-Backbone interact. energy: 0.080 local terms energy: -353.129158 where: bonds (distance) C4'-P energy: -79.304 bonds (distance) P-C4' energy: -89.111 flat angles C4'-P-C4' energy: -96.877 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -42.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -547.737262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.737262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.737262 (E_RNA) where: Base-Base interactions energy: -261.744 where: short stacking energy: -183.695 Base-Backbone interact. energy: -1.822 local terms energy: -284.170858 where: bonds (distance) C4'-P energy: -81.103 bonds (distance) P-C4' energy: -54.697 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -55.660 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -546.080421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.080421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.080421 (E_RNA) where: Base-Base interactions energy: -234.811 where: short stacking energy: -167.010 Base-Backbone interact. energy: -0.783 local terms energy: -310.487167 where: bonds (distance) C4'-P energy: -83.400 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -22.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -445.020266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.020266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.020266 (E_RNA) where: Base-Base interactions energy: -157.102 where: short stacking energy: -137.811 Base-Backbone interact. energy: -0.646 local terms energy: -287.272034 where: bonds (distance) C4'-P energy: -74.655 bonds (distance) P-C4' energy: -92.002 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -53.275 tors. eta vs tors. theta energy: 4.444 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -462.488841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.488841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.488841 (E_RNA) where: Base-Base interactions energy: -207.048 where: short stacking energy: -140.790 Base-Backbone interact. energy: -0.847 local terms energy: -254.594049 where: bonds (distance) C4'-P energy: -59.408 bonds (distance) P-C4' energy: -79.371 flat angles C4'-P-C4' energy: -77.706 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -3.111 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -407.902258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.902258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.902258 (E_RNA) where: Base-Base interactions energy: -155.250 where: short stacking energy: -113.687 Base-Backbone interact. energy: -1.612 local terms energy: -251.041027 where: bonds (distance) C4'-P energy: -83.853 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -57.747 flat angles P-C4'-P energy: -50.616 tors. eta vs tors. theta energy: 19.482 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: 4 Temperature: 0.900000 Total energy: -859.529377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.529377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.529377 (E_RNA) where: Base-Base interactions energy: -424.840 where: short stacking energy: -378.855 Base-Backbone interact. energy: -0.453 local terms energy: -434.236889 where: bonds (distance) C4'-P energy: -82.278 bonds (distance) P-C4' energy: -98.990 flat angles C4'-P-C4' energy: -100.871 flat angles P-C4'-P energy: -61.285 tors. eta vs tors. theta energy: -90.813 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: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -841.581080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.581080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.581080 (E_RNA) where: Base-Base interactions energy: -405.941 where: short stacking energy: -347.377 Base-Backbone interact. energy: 0.827 local terms energy: -436.466480 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -90.267 flat angles C4'-P-C4' energy: -98.719 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -81.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -863.563956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.563956 (E_RNA) where: Base-Base interactions energy: -448.976 where: short stacking energy: -322.336 Base-Backbone interact. energy: -1.043 local terms energy: -413.545910 where: bonds (distance) C4'-P energy: -94.187 bonds (distance) P-C4' energy: -98.820 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: -66.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -693.303340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.303340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.303340 (E_RNA) where: Base-Base interactions energy: -335.159 where: short stacking energy: -255.717 Base-Backbone interact. energy: -0.819 local terms energy: -357.325638 where: bonds (distance) C4'-P energy: -79.587 bonds (distance) P-C4' energy: -83.107 flat angles C4'-P-C4' energy: -87.287 flat angles P-C4'-P energy: -60.741 tors. eta vs tors. theta energy: -46.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -693.140779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.140779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.140779 (E_RNA) where: Base-Base interactions energy: -359.038 where: short stacking energy: -230.197 Base-Backbone interact. energy: -1.389 local terms energy: -332.714241 where: bonds (distance) C4'-P energy: -93.548 bonds (distance) P-C4' energy: -83.784 flat angles C4'-P-C4' energy: -77.586 flat angles P-C4'-P energy: -62.476 tors. eta vs tors. theta energy: -15.320 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: 4 Temperature: 1.150000 Total energy: -558.182681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.182681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.182681 (E_RNA) where: Base-Base interactions energy: -220.008 where: short stacking energy: -189.728 Base-Backbone interact. energy: -0.549 local terms energy: -337.625800 where: bonds (distance) C4'-P energy: -95.917 bonds (distance) P-C4' energy: -83.692 flat angles C4'-P-C4' energy: -83.806 flat angles P-C4'-P energy: -56.494 tors. eta vs tors. theta energy: -17.717 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: -527.006378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.006378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.006378 (E_RNA) where: Base-Base interactions energy: -255.338 where: short stacking energy: -164.772 Base-Backbone interact. energy: 0.413 local terms energy: -272.081320 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -74.552 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -2.055 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -485.441659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.441659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.441659 (E_RNA) where: Base-Base interactions energy: -213.999 where: short stacking energy: -161.280 Base-Backbone interact. energy: 0.099 local terms energy: -271.542105 where: bonds (distance) C4'-P energy: -79.510 bonds (distance) P-C4' energy: -81.045 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -31.860 tors. eta vs tors. theta energy: -9.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -477.701911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.701911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.701911 (E_RNA) where: Base-Base interactions energy: -196.703 where: short stacking energy: -145.095 Base-Backbone interact. energy: -1.257 local terms energy: -279.741630 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -69.270 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -56.327 tors. eta vs tors. theta energy: -8.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -445.256101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.256101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.256101 (E_RNA) where: Base-Base interactions energy: -190.103 where: short stacking energy: -127.283 Base-Backbone interact. energy: 3.358 local terms energy: -258.511639 where: bonds (distance) C4'-P energy: -85.632 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -67.679 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: 15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -930.430875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.430875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.430875 (E_RNA) where: Base-Base interactions energy: -454.849 where: short stacking energy: -379.010 Base-Backbone interact. energy: -1.221 local terms energy: -474.360296 where: bonds (distance) C4'-P energy: -105.922 bonds (distance) P-C4' energy: -98.309 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -100.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -933.772583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.772583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.772583 (E_RNA) where: Base-Base interactions energy: -526.794 where: short stacking energy: -315.405 Base-Backbone interact. energy: -3.000 local terms energy: -403.978054 where: bonds (distance) C4'-P energy: -83.797 bonds (distance) P-C4' energy: -101.366 flat angles C4'-P-C4' energy: -104.841 flat angles P-C4'-P energy: -61.334 tors. eta vs tors. theta energy: -52.641 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -791.082554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.082554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.082554 (E_RNA) where: Base-Base interactions energy: -397.478 where: short stacking energy: -301.874 Base-Backbone interact. energy: -1.859 local terms energy: -391.744856 where: bonds (distance) C4'-P energy: -75.384 bonds (distance) P-C4' energy: -95.865 flat angles C4'-P-C4' energy: -106.683 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -53.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -783.834474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.834474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.834474 (E_RNA) where: Base-Base interactions energy: -409.090 where: short stacking energy: -250.310 Base-Backbone interact. energy: -0.896 local terms energy: -373.848000 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -103.280 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: -38.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -719.287481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.287481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.287481 (E_RNA) where: Base-Base interactions energy: -370.195 where: short stacking energy: -257.696 Base-Backbone interact. energy: -2.425 local terms energy: -346.667655 where: bonds (distance) C4'-P energy: -87.752 bonds (distance) P-C4' energy: -77.526 flat angles C4'-P-C4' energy: -88.248 flat angles P-C4'-P energy: -59.915 tors. eta vs tors. theta energy: -33.227 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: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -596.315377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.315377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.315377 (E_RNA) where: Base-Base interactions energy: -276.548 where: short stacking energy: -211.924 Base-Backbone interact. energy: -1.612 local terms energy: -318.155947 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -88.722 flat angles C4'-P-C4' energy: -84.038 flat angles P-C4'-P energy: -50.202 tors. eta vs tors. theta energy: -26.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -549.940080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.940080 (E_RNA) where: Base-Base interactions energy: -249.410 where: short stacking energy: -175.372 Base-Backbone interact. energy: -0.574 local terms energy: -299.955592 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -97.935 flat angles C4'-P-C4' energy: -82.441 flat angles P-C4'-P energy: -29.734 tors. eta vs tors. theta energy: -12.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -497.087360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.087360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.087360 (E_RNA) where: Base-Base interactions energy: -192.314 where: short stacking energy: -136.482 Base-Backbone interact. energy: 0.074 local terms energy: -304.847599 where: bonds (distance) C4'-P energy: -95.393 bonds (distance) P-C4' energy: -100.159 flat angles C4'-P-C4' energy: -64.986 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: 1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -519.997083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.997083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.997083 (E_RNA) where: Base-Base interactions energy: -243.562 where: short stacking energy: -158.307 Base-Backbone interact. energy: 0.266 local terms energy: -276.701215 where: bonds (distance) C4'-P energy: -69.441 bonds (distance) P-C4' energy: -85.802 flat angles C4'-P-C4' energy: -70.451 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -8.969 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -450.223368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.223368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.223368 (E_RNA) where: Base-Base interactions energy: -213.056 where: short stacking energy: -153.526 Base-Backbone interact. energy: 9.745 local terms energy: -246.912453 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -78.332 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -29.747 tors. eta vs tors. theta energy: 2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1065.902016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.902016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.902016 (E_RNA) where: Base-Base interactions energy: -624.527 where: short stacking energy: -347.801 Base-Backbone interact. energy: -1.508 local terms energy: -439.866882 where: bonds (distance) C4'-P energy: -95.137 bonds (distance) P-C4' energy: -100.984 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -66.267 tors. eta vs tors. theta energy: -80.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -859.173632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.173632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.173632 (E_RNA) where: Base-Base interactions energy: -421.085 where: short stacking energy: -361.114 Base-Backbone interact. energy: -0.508 local terms energy: -437.581245 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -86.480 flat angles C4'-P-C4' energy: -109.906 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -93.591 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: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -953.475648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.475648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.475648 (E_RNA) where: Base-Base interactions energy: -516.085 where: short stacking energy: -313.125 Base-Backbone interact. energy: -1.528 local terms energy: -435.862907 where: bonds (distance) C4'-P energy: -98.255 bonds (distance) P-C4' energy: -95.678 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -67.231 tors. eta vs tors. theta energy: -81.275 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: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -782.647401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.647401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.647401 (E_RNA) where: Base-Base interactions energy: -397.314 where: short stacking energy: -273.101 Base-Backbone interact. energy: -0.967 local terms energy: -384.366110 where: bonds (distance) C4'-P energy: -87.243 bonds (distance) P-C4' energy: -95.220 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -51.656 tors. eta vs tors. theta energy: -52.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -710.511894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.511894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.511894 (E_RNA) where: Base-Base interactions energy: -358.942 where: short stacking energy: -266.069 Base-Backbone interact. energy: -1.546 local terms energy: -350.023611 where: bonds (distance) C4'-P energy: -82.252 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -80.752 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -49.484 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -620.497882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.497882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.497882 (E_RNA) where: Base-Base interactions energy: -315.560 where: short stacking energy: -218.391 Base-Backbone interact. energy: 1.183 local terms energy: -306.120104 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -78.137 flat angles C4'-P-C4' energy: -81.213 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -13.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -579.505221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.505221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.505221 (E_RNA) where: Base-Base interactions energy: -251.334 where: short stacking energy: -181.094 Base-Backbone interact. energy: -0.981 local terms energy: -327.190235 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -86.676 flat angles P-C4'-P energy: -46.388 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -476.478772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.478772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.478772 (E_RNA) where: Base-Base interactions energy: -200.153 where: short stacking energy: -168.026 Base-Backbone interact. energy: -2.280 local terms energy: -274.046541 where: bonds (distance) C4'-P energy: -94.513 bonds (distance) P-C4' energy: -73.760 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -35.080 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -483.398775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.398775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.398775 (E_RNA) where: Base-Base interactions energy: -230.183 where: short stacking energy: -146.444 Base-Backbone interact. energy: -1.892 local terms energy: -251.323937 where: bonds (distance) C4'-P energy: -74.040 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -59.260 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: 2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -388.954746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.954746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.954746 (E_RNA) where: Base-Base interactions energy: -137.446 where: short stacking energy: -124.390 Base-Backbone interact. energy: -1.689 local terms energy: -249.819641 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -74.211 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: 17.928 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: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1146.484812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.484812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.484812 (E_RNA) where: Base-Base interactions energy: -693.121 where: short stacking energy: -369.579 Base-Backbone interact. energy: -0.016 local terms energy: -453.348100 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -97.907 flat angles C4'-P-C4' energy: -110.912 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -93.947 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: 7 Temperature: 0.950000 Total energy: -1000.206604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.206604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.206604 (E_RNA) where: Base-Base interactions energy: -555.139 where: short stacking energy: -357.282 Base-Backbone interact. energy: 0.704 local terms energy: -445.771540 where: bonds (distance) C4'-P energy: -89.252 bonds (distance) P-C4' energy: -99.159 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: -89.836 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -967.543466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.543466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.543466 (E_RNA) where: Base-Base interactions energy: -561.895 where: short stacking energy: -338.220 Base-Backbone interact. energy: -1.276 local terms energy: -404.372439 where: bonds (distance) C4'-P energy: -90.002 bonds (distance) P-C4' energy: -95.351 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -53.857 tors. eta vs tors. theta energy: -73.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -870.205411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.205411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.205411 (E_RNA) where: Base-Base interactions energy: -486.500 where: short stacking energy: -269.631 Base-Backbone interact. energy: -3.214 local terms energy: -380.490754 where: bonds (distance) C4'-P energy: -82.558 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -96.561 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -52.985 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: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -767.203504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.203504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.203504 (E_RNA) where: Base-Base interactions energy: -407.895 where: short stacking energy: -252.358 Base-Backbone interact. energy: -3.583 local terms energy: -355.725277 where: bonds (distance) C4'-P energy: -72.921 bonds (distance) P-C4' energy: -95.710 flat angles C4'-P-C4' energy: -89.807 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -45.225 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -647.327776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.327776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.327776 (E_RNA) where: Base-Base interactions energy: -326.426 where: short stacking energy: -223.980 Base-Backbone interact. energy: -0.002 local terms energy: -320.900227 where: bonds (distance) C4'-P energy: -89.957 bonds (distance) P-C4' energy: -77.329 flat angles C4'-P-C4' energy: -78.949 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -43.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -555.891991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.891991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.891991 (E_RNA) where: Base-Base interactions energy: -234.303 where: short stacking energy: -177.864 Base-Backbone interact. energy: -1.075 local terms energy: -320.513991 where: bonds (distance) C4'-P energy: -81.405 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -15.089 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -507.598594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.598594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.598594 (E_RNA) where: Base-Base interactions energy: -223.461 where: short stacking energy: -164.514 Base-Backbone interact. energy: -1.837 local terms energy: -282.300049 where: bonds (distance) C4'-P energy: -77.085 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -35.888 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -445.633246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.633246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.633246 (E_RNA) where: Base-Base interactions energy: -161.173 where: short stacking energy: -145.644 Base-Backbone interact. energy: 2.489 local terms energy: -286.948638 where: bonds (distance) C4'-P energy: -77.182 bonds (distance) P-C4' energy: -96.819 flat angles C4'-P-C4' energy: -74.699 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: 0.774 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -445.403977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.403977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.403977 (E_RNA) where: Base-Base interactions energy: -177.355 where: short stacking energy: -123.256 Base-Backbone interact. energy: -3.251 local terms energy: -264.798450 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -81.577 flat angles P-C4'-P energy: -25.483 tors. eta vs tors. theta energy: 15.933 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: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1217.615280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.615280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.615280 (E_RNA) where: Base-Base interactions energy: -752.392 where: short stacking energy: -383.529 Base-Backbone interact. energy: -3.816 local terms energy: -461.407292 where: bonds (distance) C4'-P energy: -94.032 bonds (distance) P-C4' energy: -102.366 flat angles C4'-P-C4' energy: -104.656 flat angles P-C4'-P energy: -70.908 tors. eta vs tors. theta energy: -89.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1037.730443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.730443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.730443 (E_RNA) where: Base-Base interactions energy: -605.228 where: short stacking energy: -367.805 Base-Backbone interact. energy: -1.255 local terms energy: -431.247966 where: bonds (distance) C4'-P energy: -100.775 bonds (distance) P-C4' energy: -92.199 flat angles C4'-P-C4' energy: -95.179 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -84.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -942.211145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.211145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.211145 (E_RNA) where: Base-Base interactions energy: -527.817 where: short stacking energy: -304.330 Base-Backbone interact. energy: -3.035 local terms energy: -411.358747 where: bonds (distance) C4'-P energy: -89.701 bonds (distance) P-C4' energy: -102.154 flat angles C4'-P-C4' energy: -91.279 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -66.798 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -941.272647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.272647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.272647 (E_RNA) where: Base-Base interactions energy: -574.513 where: short stacking energy: -304.777 Base-Backbone interact. energy: -1.901 local terms energy: -364.858887 where: bonds (distance) C4'-P energy: -74.631 bonds (distance) P-C4' energy: -102.035 flat angles C4'-P-C4' energy: -85.261 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -50.372 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: 1 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -836.891826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.891826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.891826 (E_RNA) where: Base-Base interactions energy: -470.387 where: short stacking energy: -264.468 Base-Backbone interact. energy: -1.931 local terms energy: -364.573864 where: bonds (distance) C4'-P energy: -90.402 bonds (distance) P-C4' energy: -88.887 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -39.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -732.516757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.516757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.516757 (E_RNA) where: Base-Base interactions energy: -389.905 where: short stacking energy: -232.307 Base-Backbone interact. energy: -1.355 local terms energy: -341.257111 where: bonds (distance) C4'-P energy: -85.580 bonds (distance) P-C4' energy: -86.862 flat angles C4'-P-C4' energy: -80.749 flat angles P-C4'-P energy: -45.379 tors. eta vs tors. theta energy: -42.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -663.038277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.038277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.038277 (E_RNA) where: Base-Base interactions energy: -335.742 where: short stacking energy: -223.342 Base-Backbone interact. energy: 0.299 local terms energy: -327.595928 where: bonds (distance) C4'-P energy: -65.243 bonds (distance) P-C4' energy: -89.962 flat angles C4'-P-C4' energy: -87.768 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -39.482 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -539.911058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.911058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.911058 (E_RNA) where: Base-Base interactions energy: -269.673 where: short stacking energy: -176.905 Base-Backbone interact. energy: -3.318 local terms energy: -266.920212 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -82.540 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -33.800 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -533.990683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.990683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.990683 (E_RNA) where: Base-Base interactions energy: -259.990 where: short stacking energy: -172.430 Base-Backbone interact. energy: -1.481 local terms energy: -272.518925 where: bonds (distance) C4'-P energy: -81.494 bonds (distance) P-C4' energy: -78.021 flat angles C4'-P-C4' energy: -74.281 flat angles P-C4'-P energy: -39.448 tors. eta vs tors. theta energy: 0.725 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: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -392.271789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.271789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.271789 (E_RNA) where: Base-Base interactions energy: -146.641 where: short stacking energy: -114.559 Base-Backbone interact. energy: 1.167 local terms energy: -246.798040 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -86.574 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: 8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1220.772722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.772722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.772722 (E_RNA) where: Base-Base interactions energy: -765.211 where: short stacking energy: -418.991 Base-Backbone interact. energy: -3.096 local terms energy: -452.465486 where: bonds (distance) C4'-P energy: -91.209 bonds (distance) P-C4' energy: -95.769 flat angles C4'-P-C4' energy: -93.760 flat angles P-C4'-P energy: -68.319 tors. eta vs tors. theta energy: -103.408 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: 9 Temperature: 0.950000 Total energy: -1059.227962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.227962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.227962 (E_RNA) where: Base-Base interactions energy: -617.404 where: short stacking energy: -381.625 Base-Backbone interact. energy: -1.090 local terms energy: -440.734434 where: bonds (distance) C4'-P energy: -100.006 bonds (distance) P-C4' energy: -101.453 flat angles C4'-P-C4' energy: -100.402 flat angles P-C4'-P energy: -53.392 tors. eta vs tors. theta energy: -85.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -950.266911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.266911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.266911 (E_RNA) where: Base-Base interactions energy: -560.003 where: short stacking energy: -327.947 Base-Backbone interact. energy: -3.141 local terms energy: -387.123412 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -92.666 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -69.077 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: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -929.725313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.725313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.725313 (E_RNA) where: Base-Base interactions energy: -541.303 where: short stacking energy: -260.287 Base-Backbone interact. energy: -3.104 local terms energy: -385.318288 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -50.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -893.927861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.927861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.927861 (E_RNA) where: Base-Base interactions energy: -527.035 where: short stacking energy: -276.209 Base-Backbone interact. energy: 1.290 local terms energy: -368.183030 where: bonds (distance) C4'-P energy: -82.968 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -54.813 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: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -734.518759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.518759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.518759 (E_RNA) where: Base-Base interactions energy: -422.150 where: short stacking energy: -253.913 Base-Backbone interact. energy: -2.970 local terms energy: -309.399464 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -89.025 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -40.558 tors. eta vs tors. theta energy: -39.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -669.313613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.313613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.313613 (E_RNA) where: Base-Base interactions energy: -355.981 where: short stacking energy: -222.360 Base-Backbone interact. energy: 1.825 local terms energy: -315.157137 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -81.038 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -50.930 tors. eta vs tors. theta energy: -22.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -560.848103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.848103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.848103 (E_RNA) where: Base-Base interactions energy: -308.755 where: short stacking energy: -168.742 Base-Backbone interact. energy: 1.665 local terms energy: -253.758103 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -76.814 flat angles P-C4'-P energy: -33.640 tors. eta vs tors. theta energy: -1.131 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: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -488.021865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.021865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.021865 (E_RNA) where: Base-Base interactions energy: -245.062 where: short stacking energy: -151.152 Base-Backbone interact. energy: 1.009 local terms energy: -243.968455 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -77.425 flat angles C4'-P-C4' energy: -53.890 flat angles P-C4'-P energy: -37.255 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: 9 Temperature: 1.350000 Total energy: -392.986460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.986460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.986460 (E_RNA) where: Base-Base interactions energy: -154.268 where: short stacking energy: -135.379 Base-Backbone interact. energy: 2.380 local terms energy: -241.098341 where: bonds (distance) C4'-P energy: -70.212 bonds (distance) P-C4' energy: -72.940 flat angles C4'-P-C4' energy: -63.491 flat angles P-C4'-P energy: -44.359 tors. eta vs tors. theta energy: 9.903 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: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1241.538156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.538156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.538156 (E_RNA) where: Base-Base interactions energy: -801.353 where: short stacking energy: -390.374 Base-Backbone interact. energy: -1.274 local terms energy: -438.911152 where: bonds (distance) C4'-P energy: -97.244 bonds (distance) P-C4' energy: -97.928 flat angles C4'-P-C4' energy: -91.051 flat angles P-C4'-P energy: -59.585 tors. eta vs tors. theta energy: -93.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1082.884202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.884202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.884202 (E_RNA) where: Base-Base interactions energy: -647.563 where: short stacking energy: -375.309 Base-Backbone interact. energy: -2.747 local terms energy: -432.573734 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -104.233 flat angles P-C4'-P energy: -65.107 tors. eta vs tors. theta energy: -86.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1015.613596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.613596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.613596 (E_RNA) where: Base-Base interactions energy: -583.705 where: short stacking energy: -340.009 Base-Backbone interact. energy: -2.412 local terms energy: -429.496621 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -103.082 flat angles C4'-P-C4' energy: -88.777 flat angles P-C4'-P energy: -69.740 tors. eta vs tors. theta energy: -82.969 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: 10 Temperature: 1.050000 Total energy: -944.957665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.957665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.957665 (E_RNA) where: Base-Base interactions energy: -541.684 where: short stacking energy: -304.077 Base-Backbone interact. energy: -1.494 local terms energy: -401.778914 where: bonds (distance) C4'-P energy: -96.132 bonds (distance) P-C4' energy: -97.446 flat angles C4'-P-C4' energy: -87.291 flat angles P-C4'-P energy: -47.203 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: 5, replica: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -871.211694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.211694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.211694 (E_RNA) where: Base-Base interactions energy: -479.715 where: short stacking energy: -256.315 Base-Backbone interact. energy: -1.684 local terms energy: -389.812543 where: bonds (distance) C4'-P energy: -84.663 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -97.978 flat angles P-C4'-P energy: -66.251 tors. eta vs tors. theta energy: -51.131 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: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -790.007645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.007645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.007645 (E_RNA) where: Base-Base interactions energy: -434.696 where: short stacking energy: -267.800 Base-Backbone interact. energy: -0.003 local terms energy: -355.308668 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -93.124 flat angles C4'-P-C4' energy: -91.572 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -45.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -653.025255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.025255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.025255 (E_RNA) where: Base-Base interactions energy: -326.503 where: short stacking energy: -179.632 Base-Backbone interact. energy: -1.394 local terms energy: -325.128902 where: bonds (distance) C4'-P energy: -80.693 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -79.872 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -18.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -618.256873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.256873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.256873 (E_RNA) where: Base-Base interactions energy: -318.476 where: short stacking energy: -188.436 Base-Backbone interact. energy: -2.279 local terms energy: -297.501294 where: bonds (distance) C4'-P energy: -94.164 bonds (distance) P-C4' energy: -85.986 flat angles C4'-P-C4' energy: -65.854 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -521.752561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.752561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.752561 (E_RNA) where: Base-Base interactions energy: -256.849 where: short stacking energy: -167.620 Base-Backbone interact. energy: 0.448 local terms energy: -265.352018 where: bonds (distance) C4'-P energy: -92.764 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -57.918 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -11.274 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -368.697997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.697997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.697997 (E_RNA) where: Base-Base interactions energy: -145.856 where: short stacking energy: -123.872 Base-Backbone interact. energy: -2.990 local terms energy: -219.851930 where: bonds (distance) C4'-P energy: -64.469 bonds (distance) P-C4' energy: -78.138 flat angles C4'-P-C4' energy: -62.997 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: 14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1246.461560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.461560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.461560 (E_RNA) where: Base-Base interactions energy: -814.358 where: short stacking energy: -392.041 Base-Backbone interact. energy: -4.128 local terms energy: -427.975436 where: bonds (distance) C4'-P energy: -94.736 bonds (distance) P-C4' energy: -95.342 flat angles C4'-P-C4' energy: -95.896 flat angles P-C4'-P energy: -54.994 tors. eta vs tors. theta energy: -87.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1127.815524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.815524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.815524 (E_RNA) where: Base-Base interactions energy: -725.236 where: short stacking energy: -347.267 Base-Backbone interact. energy: -1.967 local terms energy: -400.613098 where: bonds (distance) C4'-P energy: -92.462 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -101.684 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -73.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -966.243329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.243329 (E_RNA) where: Base-Base interactions energy: -567.355 where: short stacking energy: -306.670 Base-Backbone interact. energy: -1.464 local terms energy: -397.424159 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -95.539 flat angles C4'-P-C4' energy: -84.166 flat angles P-C4'-P energy: -70.813 tors. eta vs tors. theta energy: -60.407 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: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -963.151557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.151557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.151557 (E_RNA) where: Base-Base interactions energy: -611.367 where: short stacking energy: -297.983 Base-Backbone interact. energy: -1.133 local terms energy: -350.652048 where: bonds (distance) C4'-P energy: -70.806 bonds (distance) P-C4' energy: -90.660 flat angles C4'-P-C4' energy: -82.485 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: -48.250 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: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -891.782147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.782147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.782147 (E_RNA) where: Base-Base interactions energy: -494.007 where: short stacking energy: -270.696 Base-Backbone interact. energy: -2.372 local terms energy: -395.402542 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -92.110 flat angles C4'-P-C4' energy: -93.633 flat angles P-C4'-P energy: -69.265 tors. eta vs tors. theta energy: -48.241 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: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -839.369045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.369045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.369045 (E_RNA) where: Base-Base interactions energy: -515.475 where: short stacking energy: -270.967 Base-Backbone interact. energy: -2.343 local terms energy: -321.550640 where: bonds (distance) C4'-P energy: -63.276 bonds (distance) P-C4' energy: -77.570 flat angles C4'-P-C4' energy: -86.443 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -47.334 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: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -647.172151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.172151 (E_RNA) where: Base-Base interactions energy: -318.034 where: short stacking energy: -211.210 Base-Backbone interact. energy: -3.191 local terms energy: -325.947879 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -82.415 flat angles C4'-P-C4' energy: -82.611 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -31.301 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -626.006794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.006794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.006794 (E_RNA) where: Base-Base interactions energy: -330.110 where: short stacking energy: -184.923 Base-Backbone interact. energy: 2.717 local terms energy: -298.613960 where: bonds (distance) C4'-P energy: -78.883 bonds (distance) P-C4' energy: -79.388 flat angles C4'-P-C4' energy: -80.900 flat angles P-C4'-P energy: -45.430 tors. eta vs tors. theta energy: -14.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -531.743480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.743480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.743480 (E_RNA) where: Base-Base interactions energy: -257.264 where: short stacking energy: -161.531 Base-Backbone interact. energy: 1.770 local terms energy: -276.250141 where: bonds (distance) C4'-P energy: -65.055 bonds (distance) P-C4' energy: -78.714 flat angles C4'-P-C4' energy: -82.290 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -433.276665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.276665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.276665 (E_RNA) where: Base-Base interactions energy: -210.758 where: short stacking energy: -147.493 Base-Backbone interact. energy: 0.598 local terms energy: -223.116254 where: bonds (distance) C4'-P energy: -80.100 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -60.095 flat angles P-C4'-P energy: -28.587 tors. eta vs tors. theta energy: 13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1290.104067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.104067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.104067 (E_RNA) where: Base-Base interactions energy: -812.617 where: short stacking energy: -390.004 Base-Backbone interact. energy: -4.577 local terms energy: -472.909648 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -104.610 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -73.575 tors. eta vs tors. theta energy: -96.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1185.951784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.951784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.951784 (E_RNA) where: Base-Base interactions energy: -734.669 where: short stacking energy: -394.727 Base-Backbone interact. energy: 0.124 local terms energy: -451.406782 where: bonds (distance) C4'-P energy: -93.369 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -71.688 tors. eta vs tors. theta energy: -89.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1137.687267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.687267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.687267 (E_RNA) where: Base-Base interactions energy: -729.311 where: short stacking energy: -342.682 Base-Backbone interact. energy: -1.777 local terms energy: -406.598778 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -91.431 flat angles C4'-P-C4' energy: -100.829 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -66.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -946.683943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.683943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.683943 (E_RNA) where: Base-Base interactions energy: -547.575 where: short stacking energy: -299.473 Base-Backbone interact. energy: 2.400 local terms energy: -401.508849 where: bonds (distance) C4'-P energy: -88.634 bonds (distance) P-C4' energy: -98.021 flat angles C4'-P-C4' energy: -94.531 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -59.477 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: 1 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -899.005074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.005074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.005074 (E_RNA) where: Base-Base interactions energy: -527.376 where: short stacking energy: -273.885 Base-Backbone interact. energy: -1.984 local terms energy: -369.644350 where: bonds (distance) C4'-P energy: -89.821 bonds (distance) P-C4' energy: -93.479 flat angles C4'-P-C4' energy: -75.487 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -52.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -850.864463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.864463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.864463 (E_RNA) where: Base-Base interactions energy: -490.865 where: short stacking energy: -273.611 Base-Backbone interact. energy: -0.875 local terms energy: -359.124943 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -78.950 flat angles C4'-P-C4' energy: -86.628 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -52.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -611.205531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.205531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.205531 (E_RNA) where: Base-Base interactions energy: -303.385 where: short stacking energy: -182.311 Base-Backbone interact. energy: -1.783 local terms energy: -306.038077 where: bonds (distance) C4'-P energy: -79.555 bonds (distance) P-C4' energy: -90.879 flat angles C4'-P-C4' energy: -81.167 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -8.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -604.692745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.692745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.692745 (E_RNA) where: Base-Base interactions energy: -312.624 where: short stacking energy: -216.877 Base-Backbone interact. energy: 1.456 local terms energy: -293.523838 where: bonds (distance) C4'-P energy: -71.066 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -60.866 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -37.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -601.176727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.176727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.176727 (E_RNA) where: Base-Base interactions energy: -300.907 where: short stacking energy: -178.574 Base-Backbone interact. energy: -1.742 local terms energy: -298.527673 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -46.342 tors. eta vs tors. theta energy: -23.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -426.254046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.254046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.254046 (E_RNA) where: Base-Base interactions energy: -195.375 where: short stacking energy: -141.061 Base-Backbone interact. energy: -0.629 local terms energy: -230.250230 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -74.789 flat angles C4'-P-C4' energy: -66.115 flat angles P-C4'-P energy: -17.362 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: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1331.832315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.832315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.832315 (E_RNA) where: Base-Base interactions energy: -869.181 where: short stacking energy: -375.051 Base-Backbone interact. energy: -2.325 local terms energy: -460.326421 where: bonds (distance) C4'-P energy: -96.719 bonds (distance) P-C4' energy: -104.866 flat angles C4'-P-C4' energy: -98.617 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -101.773 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: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1177.069547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.069547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.069547 (E_RNA) where: Base-Base interactions energy: -744.041 where: short stacking energy: -359.098 Base-Backbone interact. energy: -3.123 local terms energy: -429.905187 where: bonds (distance) C4'-P energy: -89.658 bonds (distance) P-C4' energy: -97.630 flat angles C4'-P-C4' energy: -109.362 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -80.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1191.274063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.274063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.274063 (E_RNA) where: Base-Base interactions energy: -771.134 where: short stacking energy: -348.415 Base-Backbone interact. energy: -2.166 local terms energy: -417.974255 where: bonds (distance) C4'-P energy: -93.460 bonds (distance) P-C4' energy: -83.300 flat angles C4'-P-C4' energy: -102.252 flat angles P-C4'-P energy: -65.905 tors. eta vs tors. theta energy: -73.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1016.746760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.746760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.746760 (E_RNA) where: Base-Base interactions energy: -634.517 where: short stacking energy: -349.038 Base-Backbone interact. energy: -1.686 local terms energy: -380.543950 where: bonds (distance) C4'-P energy: -96.852 bonds (distance) P-C4' energy: -77.507 flat angles C4'-P-C4' energy: -80.464 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -71.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -911.884628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.884628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.884628 (E_RNA) where: Base-Base interactions energy: -542.293 where: short stacking energy: -312.748 Base-Backbone interact. energy: -0.193 local terms energy: -369.398774 where: bonds (distance) C4'-P energy: -76.192 bonds (distance) P-C4' energy: -87.918 flat angles C4'-P-C4' energy: -94.318 flat angles P-C4'-P energy: -48.672 tors. eta vs tors. theta energy: -62.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -913.888435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.888435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.888435 (E_RNA) where: Base-Base interactions energy: -539.266 where: short stacking energy: -301.211 Base-Backbone interact. energy: 2.041 local terms energy: -376.663141 where: bonds (distance) C4'-P energy: -73.218 bonds (distance) P-C4' energy: -89.030 flat angles C4'-P-C4' energy: -94.253 flat angles P-C4'-P energy: -57.403 tors. eta vs tors. theta energy: -62.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -598.011422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.011422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.011422 (E_RNA) where: Base-Base interactions energy: -284.562 where: short stacking energy: -188.452 Base-Backbone interact. energy: 0.259 local terms energy: -313.707940 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -96.689 flat angles C4'-P-C4' energy: -70.346 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -617.339252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.339252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.339252 (E_RNA) where: Base-Base interactions energy: -334.194 where: short stacking energy: -191.633 Base-Backbone interact. energy: -1.218 local terms energy: -281.926936 where: bonds (distance) C4'-P energy: -73.254 bonds (distance) P-C4' energy: -81.618 flat angles C4'-P-C4' energy: -61.321 flat angles P-C4'-P energy: -48.766 tors. eta vs tors. theta energy: -16.967 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: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -555.644896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.644896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.644896 (E_RNA) where: Base-Base interactions energy: -282.195 where: short stacking energy: -178.417 Base-Backbone interact. energy: -1.549 local terms energy: -271.900619 where: bonds (distance) C4'-P energy: -77.910 bonds (distance) P-C4' energy: -76.276 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -31.546 tors. eta vs tors. theta energy: -13.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -416.340355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.340355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.340355 (E_RNA) where: Base-Base interactions energy: -185.498 where: short stacking energy: -119.828 Base-Backbone interact. energy: 2.340 local terms energy: -233.182016 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -78.106 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -23.130 tors. eta vs tors. theta energy: 4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1361.099411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.099411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.099411 (E_RNA) where: Base-Base interactions energy: -913.258 where: short stacking energy: -402.692 Base-Backbone interact. energy: -4.100 local terms energy: -443.741081 where: bonds (distance) C4'-P energy: -91.961 bonds (distance) P-C4' energy: -95.423 flat angles C4'-P-C4' energy: -93.870 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: -106.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1138.732693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.732693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.732693 (E_RNA) where: Base-Base interactions energy: -717.618 where: short stacking energy: -352.796 Base-Backbone interact. energy: -3.088 local terms energy: -418.026879 where: bonds (distance) C4'-P energy: -81.870 bonds (distance) P-C4' energy: -96.726 flat angles C4'-P-C4' energy: -104.143 flat angles P-C4'-P energy: -56.949 tors. eta vs tors. theta energy: -78.338 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: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1183.437746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.437746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.437746 (E_RNA) where: Base-Base interactions energy: -781.187 where: short stacking energy: -364.159 Base-Backbone interact. energy: -0.237 local terms energy: -402.013225 where: bonds (distance) C4'-P energy: -83.878 bonds (distance) P-C4' energy: -100.351 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -62.012 tors. eta vs tors. theta energy: -74.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1053.075499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.075499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.075499 (E_RNA) where: Base-Base interactions energy: -651.619 where: short stacking energy: -299.180 Base-Backbone interact. energy: -1.059 local terms energy: -400.397396 where: bonds (distance) C4'-P energy: -99.952 bonds (distance) P-C4' energy: -90.436 flat angles C4'-P-C4' energy: -91.909 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -64.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -969.641046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.641046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.641046 (E_RNA) where: Base-Base interactions energy: -603.356 where: short stacking energy: -333.821 Base-Backbone interact. energy: 1.487 local terms energy: -367.771369 where: bonds (distance) C4'-P energy: -86.306 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -75.125 flat angles P-C4'-P energy: -43.643 tors. eta vs tors. theta energy: -71.456 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: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -915.373981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.373981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.373981 (E_RNA) where: Base-Base interactions energy: -563.620 where: short stacking energy: -298.388 Base-Backbone interact. energy: 2.294 local terms energy: -354.047595 where: bonds (distance) C4'-P energy: -67.865 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -58.729 tors. eta vs tors. theta energy: -63.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -681.927451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.927451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.927451 (E_RNA) where: Base-Base interactions energy: -358.064 where: short stacking energy: -190.454 Base-Backbone interact. energy: -0.583 local terms energy: -323.280117 where: bonds (distance) C4'-P energy: -74.645 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -81.159 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: -22.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -574.646228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.646228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.646228 (E_RNA) where: Base-Base interactions energy: -284.124 where: short stacking energy: -146.291 Base-Backbone interact. energy: -2.389 local terms energy: -288.134091 where: bonds (distance) C4'-P energy: -71.012 bonds (distance) P-C4' energy: -92.826 flat angles C4'-P-C4' energy: -77.279 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: 7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -497.415992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.415992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.415992 (E_RNA) where: Base-Base interactions energy: -222.034 where: short stacking energy: -161.937 Base-Backbone interact. energy: -2.604 local terms energy: -272.777457 where: bonds (distance) C4'-P energy: -73.507 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -69.797 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -527.094557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.094557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.094557 (E_RNA) where: Base-Base interactions energy: -256.302 where: short stacking energy: -162.841 Base-Backbone interact. energy: -1.199 local terms energy: -269.593229 where: bonds (distance) C4'-P energy: -71.550 bonds (distance) P-C4' energy: -90.680 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -39.096 tors. eta vs tors. theta energy: -2.833 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: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1364.400649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.400649 (E_RNA) where: Base-Base interactions energy: -928.122 where: short stacking energy: -412.530 Base-Backbone interact. energy: -2.045 local terms energy: -434.234053 where: bonds (distance) C4'-P energy: -86.061 bonds (distance) P-C4' energy: -88.433 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -99.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1286.022261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.022261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.022261 (E_RNA) where: Base-Base interactions energy: -839.445 where: short stacking energy: -403.940 Base-Backbone interact. energy: -2.999 local terms energy: -443.579152 where: bonds (distance) C4'-P energy: -96.506 bonds (distance) P-C4' energy: -95.308 flat angles C4'-P-C4' energy: -98.368 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -86.915 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: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1128.612737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.612737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.612737 (E_RNA) where: Base-Base interactions energy: -726.064 where: short stacking energy: -339.864 Base-Backbone interact. energy: -0.710 local terms energy: -401.839457 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -89.580 flat angles C4'-P-C4' energy: -94.192 flat angles P-C4'-P energy: -72.311 tors. eta vs tors. theta energy: -68.790 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: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1081.064710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.064710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.064710 (E_RNA) where: Base-Base interactions energy: -672.904 where: short stacking energy: -330.817 Base-Backbone interact. energy: 2.172 local terms energy: -410.332999 where: bonds (distance) C4'-P energy: -96.490 bonds (distance) P-C4' energy: -82.385 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -63.979 tors. eta vs tors. theta energy: -67.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1032.831272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.831272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.831272 (E_RNA) where: Base-Base interactions energy: -644.976 where: short stacking energy: -324.194 Base-Backbone interact. energy: -2.312 local terms energy: -385.543398 where: bonds (distance) C4'-P energy: -93.973 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -55.418 tors. eta vs tors. theta energy: -62.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -991.860237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.860237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.860237 (E_RNA) where: Base-Base interactions energy: -623.870 where: short stacking energy: -308.625 Base-Backbone interact. energy: -1.548 local terms energy: -366.442044 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -79.379 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -65.862 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: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -744.353917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.353917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.353917 (E_RNA) where: Base-Base interactions energy: -423.220 where: short stacking energy: -215.195 Base-Backbone interact. energy: -1.182 local terms energy: -319.951916 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -86.501 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -18.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -652.103667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.103667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.103667 (E_RNA) where: Base-Base interactions energy: -345.741 where: short stacking energy: -200.494 Base-Backbone interact. energy: -1.102 local terms energy: -305.260497 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -83.417 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -12.629 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: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -525.093616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.093616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.093616 (E_RNA) where: Base-Base interactions energy: -248.293 where: short stacking energy: -166.392 Base-Backbone interact. energy: 1.551 local terms energy: -278.350977 where: bonds (distance) C4'-P energy: -70.137 bonds (distance) P-C4' energy: -86.682 flat angles C4'-P-C4' energy: -73.575 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: -8.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -548.476616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.476616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.476616 (E_RNA) where: Base-Base interactions energy: -258.981 where: short stacking energy: -160.351 Base-Backbone interact. energy: -2.416 local terms energy: -287.079289 where: bonds (distance) C4'-P energy: -81.361 bonds (distance) P-C4' energy: -62.018 flat angles C4'-P-C4' energy: -85.465 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1377.379025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.379025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.379025 (E_RNA) where: Base-Base interactions energy: -904.541 where: short stacking energy: -419.960 Base-Backbone interact. energy: -2.711 local terms energy: -470.126999 where: bonds (distance) C4'-P energy: -93.382 bonds (distance) P-C4' energy: -105.238 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -57.102 tors. eta vs tors. theta energy: -109.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1278.197312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.197312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.197312 (E_RNA) where: Base-Base interactions energy: -853.216 where: short stacking energy: -376.213 Base-Backbone interact. energy: -2.818 local terms energy: -422.163576 where: bonds (distance) C4'-P energy: -76.495 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -109.422 flat angles P-C4'-P energy: -54.597 tors. eta vs tors. theta energy: -85.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1144.706313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.706313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.706313 (E_RNA) where: Base-Base interactions energy: -740.815 where: short stacking energy: -345.505 Base-Backbone interact. energy: -1.926 local terms energy: -401.965128 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -84.031 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: -67.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1064.055212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.055212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.055212 (E_RNA) where: Base-Base interactions energy: -664.902 where: short stacking energy: -353.307 Base-Backbone interact. energy: -2.375 local terms energy: -396.778627 where: bonds (distance) C4'-P energy: -95.870 bonds (distance) P-C4' energy: -77.401 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -68.728 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: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1024.144699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.144699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.144699 (E_RNA) where: Base-Base interactions energy: -654.818 where: short stacking energy: -320.956 Base-Backbone interact. energy: -3.929 local terms energy: -365.397036 where: bonds (distance) C4'-P energy: -79.460 bonds (distance) P-C4' energy: -82.658 flat angles C4'-P-C4' energy: -85.001 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -62.884 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: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -925.391581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.391581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.391581 (E_RNA) where: Base-Base interactions energy: -561.968 where: short stacking energy: -280.300 Base-Backbone interact. energy: -2.770 local terms energy: -360.653599 where: bonds (distance) C4'-P energy: -92.756 bonds (distance) P-C4' energy: -71.690 flat angles C4'-P-C4' energy: -85.544 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: -57.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -772.021656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.021656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.021656 (E_RNA) where: Base-Base interactions energy: -444.099 where: short stacking energy: -246.593 Base-Backbone interact. energy: -2.312 local terms energy: -325.611125 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -72.492 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -42.258 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: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -672.537346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.537346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.537346 (E_RNA) where: Base-Base interactions energy: -367.671 where: short stacking energy: -200.780 Base-Backbone interact. energy: -3.152 local terms energy: -301.714780 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -93.116 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -26.971 tors. eta vs tors. theta energy: -31.537 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -555.945995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.945995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.945995 (E_RNA) where: Base-Base interactions energy: -286.242 where: short stacking energy: -171.917 Base-Backbone interact. energy: 10.311 local terms energy: -280.014938 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -79.160 flat angles C4'-P-C4' energy: -64.416 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -517.695764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.695764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.695764 (E_RNA) where: Base-Base interactions energy: -283.058 where: short stacking energy: -155.962 Base-Backbone interact. energy: 4.059 local terms energy: -238.696356 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -65.134 flat angles C4'-P-C4' energy: -61.651 flat angles P-C4'-P energy: -29.689 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1404.269205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.269205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.269205 (E_RNA) where: Base-Base interactions energy: -935.333 where: short stacking energy: -407.327 Base-Backbone interact. energy: -1.905 local terms energy: -467.031321 where: bonds (distance) C4'-P energy: -84.337 bonds (distance) P-C4' energy: -90.603 flat angles C4'-P-C4' energy: -114.834 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -111.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1339.115130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.115130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.115130 (E_RNA) where: Base-Base interactions energy: -904.182 where: short stacking energy: -386.859 Base-Backbone interact. energy: -2.317 local terms energy: -432.616520 where: bonds (distance) C4'-P energy: -80.470 bonds (distance) P-C4' energy: -93.129 flat angles C4'-P-C4' energy: -110.638 flat angles P-C4'-P energy: -66.200 tors. eta vs tors. theta energy: -82.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1208.553505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.553505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.553505 (E_RNA) where: Base-Base interactions energy: -787.166 where: short stacking energy: -384.633 Base-Backbone interact. energy: -0.007 local terms energy: -421.380332 where: bonds (distance) C4'-P energy: -95.698 bonds (distance) P-C4' energy: -90.031 flat angles C4'-P-C4' energy: -94.298 flat angles P-C4'-P energy: -65.953 tors. eta vs tors. theta energy: -75.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1057.126472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.126472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.126472 (E_RNA) where: Base-Base interactions energy: -654.131 where: short stacking energy: -318.045 Base-Backbone interact. energy: 0.333 local terms energy: -403.329061 where: bonds (distance) C4'-P energy: -93.595 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -95.906 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -78.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1016.558108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.558108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.558108 (E_RNA) where: Base-Base interactions energy: -640.371 where: short stacking energy: -314.672 Base-Backbone interact. energy: 0.321 local terms energy: -376.507886 where: bonds (distance) C4'-P energy: -71.948 bonds (distance) P-C4' energy: -87.666 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -59.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -974.040966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.040966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.040966 (E_RNA) where: Base-Base interactions energy: -596.690 where: short stacking energy: -317.612 Base-Backbone interact. energy: 0.093 local terms energy: -377.444707 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -86.937 flat angles P-C4'-P energy: -54.643 tors. eta vs tors. theta energy: -67.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -774.840321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.840321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.840321 (E_RNA) where: Base-Base interactions energy: -450.021 where: short stacking energy: -231.572 Base-Backbone interact. energy: 2.079 local terms energy: -326.898693 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -99.395 flat angles C4'-P-C4' energy: -81.445 flat angles P-C4'-P energy: -36.013 tors. eta vs tors. theta energy: -31.516 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: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -670.582270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.582270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.582270 (E_RNA) where: Base-Base interactions energy: -366.454 where: short stacking energy: -210.504 Base-Backbone interact. energy: -0.702 local terms energy: -303.426407 where: bonds (distance) C4'-P energy: -86.970 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -76.569 flat angles P-C4'-P energy: -47.954 tors. eta vs tors. theta energy: -25.902 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -531.040628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.040628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.040628 (E_RNA) where: Base-Base interactions energy: -270.498 where: short stacking energy: -156.121 Base-Backbone interact. energy: -2.298 local terms energy: -258.243832 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -69.141 flat angles P-C4'-P energy: -40.615 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -487.411971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.411971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.411971 (E_RNA) where: Base-Base interactions energy: -229.069 where: short stacking energy: -128.106 Base-Backbone interact. energy: -3.711 local terms energy: -254.632413 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -28.696 tors. eta vs tors. theta energy: 0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1405.536183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.536183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.536183 (E_RNA) where: Base-Base interactions energy: -927.612 where: short stacking energy: -420.383 Base-Backbone interact. energy: -3.212 local terms energy: -474.711909 where: bonds (distance) C4'-P energy: -103.849 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -97.094 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -115.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1342.676077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.676077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.676077 (E_RNA) where: Base-Base interactions energy: -888.209 where: short stacking energy: -400.730 Base-Backbone interact. energy: -4.068 local terms energy: -450.399262 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -96.635 flat angles C4'-P-C4' energy: -98.859 flat angles P-C4'-P energy: -70.470 tors. eta vs tors. theta energy: -96.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1273.645174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.645174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.645174 (E_RNA) where: Base-Base interactions energy: -851.719 where: short stacking energy: -382.298 Base-Backbone interact. energy: -0.427 local terms energy: -421.498985 where: bonds (distance) C4'-P energy: -84.229 bonds (distance) P-C4' energy: -77.995 flat angles C4'-P-C4' energy: -102.929 flat angles P-C4'-P energy: -64.502 tors. eta vs tors. theta energy: -91.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1059.157852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.157852 (E_RNA) where: Base-Base interactions energy: -642.853 where: short stacking energy: -324.437 Base-Backbone interact. energy: -2.297 local terms energy: -414.008039 where: bonds (distance) C4'-P energy: -76.648 bonds (distance) P-C4' energy: -104.266 flat angles C4'-P-C4' energy: -94.326 flat angles P-C4'-P energy: -64.889 tors. eta vs tors. theta energy: -73.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1013.176021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.176021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.176021 (E_RNA) where: Base-Base interactions energy: -655.622 where: short stacking energy: -316.255 Base-Backbone interact. energy: -0.358 local terms energy: -357.196416 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -88.894 flat angles C4'-P-C4' energy: -74.455 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -56.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1020.208318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.208318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.208318 (E_RNA) where: Base-Base interactions energy: -613.145 where: short stacking energy: -321.542 Base-Backbone interact. energy: -0.414 local terms energy: -406.649145 where: bonds (distance) C4'-P energy: -83.036 bonds (distance) P-C4' energy: -89.611 flat angles C4'-P-C4' energy: -95.396 flat angles P-C4'-P energy: -58.217 tors. eta vs tors. theta energy: -80.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -804.427896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.427896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.427896 (E_RNA) where: Base-Base interactions energy: -472.545 where: short stacking energy: -257.050 Base-Backbone interact. energy: -2.328 local terms energy: -329.555037 where: bonds (distance) C4'-P energy: -90.553 bonds (distance) P-C4' energy: -67.954 flat angles C4'-P-C4' energy: -82.486 flat angles P-C4'-P energy: -43.045 tors. eta vs tors. theta energy: -45.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -857.769773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.769773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.769773 (E_RNA) where: Base-Base interactions energy: -511.140 where: short stacking energy: -237.038 Base-Backbone interact. energy: 3.071 local terms energy: -349.700898 where: bonds (distance) C4'-P energy: -77.094 bonds (distance) P-C4' energy: -86.626 flat angles C4'-P-C4' energy: -76.911 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -49.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -585.220894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.220894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.220894 (E_RNA) where: Base-Base interactions energy: -280.333 where: short stacking energy: -171.711 Base-Backbone interact. energy: -1.371 local terms energy: -303.516481 where: bonds (distance) C4'-P energy: -78.894 bonds (distance) P-C4' energy: -76.599 flat angles C4'-P-C4' energy: -77.302 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -12.332 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: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -454.562601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.562601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.562601 (E_RNA) where: Base-Base interactions energy: -227.688 where: short stacking energy: -128.700 Base-Backbone interact. energy: 2.379 local terms energy: -229.253334 where: bonds (distance) C4'-P energy: -79.302 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -49.096 flat angles P-C4'-P energy: -46.978 tors. eta vs tors. theta energy: 13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1405.141227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.141227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.141227 (E_RNA) where: Base-Base interactions energy: -908.876 where: short stacking energy: -423.922 Base-Backbone interact. energy: -2.220 local terms energy: -494.044628 where: bonds (distance) C4'-P energy: -105.609 bonds (distance) P-C4' energy: -99.518 flat angles C4'-P-C4' energy: -107.893 flat angles P-C4'-P energy: -58.759 tors. eta vs tors. theta energy: -122.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1352.291788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.291788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.291788 (E_RNA) where: Base-Base interactions energy: -920.079 where: short stacking energy: -400.432 Base-Backbone interact. energy: -2.863 local terms energy: -429.349412 where: bonds (distance) C4'-P energy: -92.070 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -92.428 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -95.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1251.116491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.116491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.116491 (E_RNA) where: Base-Base interactions energy: -828.007 where: short stacking energy: -379.323 Base-Backbone interact. energy: 0.046 local terms energy: -423.155374 where: bonds (distance) C4'-P energy: -90.681 bonds (distance) P-C4' energy: -90.310 flat angles C4'-P-C4' energy: -103.776 flat angles P-C4'-P energy: -45.865 tors. eta vs tors. theta energy: -92.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1045.882940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.882940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.882940 (E_RNA) where: Base-Base interactions energy: -669.442 where: short stacking energy: -339.025 Base-Backbone interact. energy: 2.413 local terms energy: -378.854793 where: bonds (distance) C4'-P energy: -81.662 bonds (distance) P-C4' energy: -78.676 flat angles C4'-P-C4' energy: -95.705 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -73.083 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: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1025.250566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.250566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.250566 (E_RNA) where: Base-Base interactions energy: -660.467 where: short stacking energy: -307.356 Base-Backbone interact. energy: -2.465 local terms energy: -362.319409 where: bonds (distance) C4'-P energy: -77.339 bonds (distance) P-C4' energy: -86.083 flat angles C4'-P-C4' energy: -97.702 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -57.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1007.481540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.481540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.481540 (E_RNA) where: Base-Base interactions energy: -618.061 where: short stacking energy: -323.969 Base-Backbone interact. energy: 0.625 local terms energy: -390.044960 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -90.245 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -67.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -842.805763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.805763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.805763 (E_RNA) where: Base-Base interactions energy: -504.032 where: short stacking energy: -271.692 Base-Backbone interact. energy: -1.004 local terms energy: -337.770554 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -76.453 flat angles C4'-P-C4' energy: -74.462 flat angles P-C4'-P energy: -57.195 tors. eta vs tors. theta energy: -48.258 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: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -881.080558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.080558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.080558 (E_RNA) where: Base-Base interactions energy: -555.510 where: short stacking energy: -263.452 Base-Backbone interact. energy: -1.740 local terms energy: -323.830746 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -81.161 flat angles C4'-P-C4' energy: -71.242 flat angles P-C4'-P energy: -49.738 tors. eta vs tors. theta energy: -40.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -570.489574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.489574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.489574 (E_RNA) where: Base-Base interactions energy: -283.235 where: short stacking energy: -176.419 Base-Backbone interact. energy: -0.788 local terms energy: -286.466860 where: bonds (distance) C4'-P energy: -68.235 bonds (distance) P-C4' energy: -77.429 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -21.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -462.621228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.621228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.621228 (E_RNA) where: Base-Base interactions energy: -206.383 where: short stacking energy: -121.594 Base-Backbone interact. energy: 4.296 local terms energy: -260.533610 where: bonds (distance) C4'-P energy: -78.280 bonds (distance) P-C4' energy: -85.798 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -39.154 tors. eta vs tors. theta energy: 13.486 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: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1450.109932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.109932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.109932 (E_RNA) where: Base-Base interactions energy: -974.457 where: short stacking energy: -449.724 Base-Backbone interact. energy: -2.954 local terms energy: -472.699297 where: bonds (distance) C4'-P energy: -91.735 bonds (distance) P-C4' energy: -99.291 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -69.116 tors. eta vs tors. theta energy: -112.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1357.977424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.977424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.977424 (E_RNA) where: Base-Base interactions energy: -902.326 where: short stacking energy: -407.683 Base-Backbone interact. energy: -3.157 local terms energy: -452.495130 where: bonds (distance) C4'-P energy: -89.736 bonds (distance) P-C4' energy: -91.555 flat angles C4'-P-C4' energy: -111.267 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -105.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1299.905452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.905452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.905452 (E_RNA) where: Base-Base interactions energy: -863.149 where: short stacking energy: -373.021 Base-Backbone interact. energy: 1.861 local terms energy: -438.618043 where: bonds (distance) C4'-P energy: -94.614 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -96.302 flat angles P-C4'-P energy: -56.339 tors. eta vs tors. theta energy: -105.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -988.699855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.699855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.699855 (E_RNA) where: Base-Base interactions energy: -607.486 where: short stacking energy: -305.978 Base-Backbone interact. energy: 1.835 local terms energy: -383.049344 where: bonds (distance) C4'-P energy: -89.704 bonds (distance) P-C4' energy: -87.432 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -61.836 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: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1061.679708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.679708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.679708 (E_RNA) where: Base-Base interactions energy: -664.219 where: short stacking energy: -327.541 Base-Backbone interact. energy: -0.357 local terms energy: -397.103757 where: bonds (distance) C4'-P energy: -79.811 bonds (distance) P-C4' energy: -91.826 flat angles C4'-P-C4' energy: -98.975 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: -72.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -957.878261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.878261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.878261 (E_RNA) where: Base-Base interactions energy: -606.410 where: short stacking energy: -289.981 Base-Backbone interact. energy: -0.759 local terms energy: -350.709142 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -84.952 flat angles C4'-P-C4' energy: -86.930 flat angles P-C4'-P energy: -52.871 tors. eta vs tors. theta energy: -46.366 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: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -869.867361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.867361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.867361 (E_RNA) where: Base-Base interactions energy: -500.547 where: short stacking energy: -268.627 Base-Backbone interact. energy: -0.560 local terms energy: -368.760453 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -91.407 flat angles C4'-P-C4' energy: -88.814 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -51.936 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -873.880601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.880601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.880601 (E_RNA) where: Base-Base interactions energy: -544.268 where: short stacking energy: -251.293 Base-Backbone interact. energy: -1.102 local terms energy: -328.510901 where: bonds (distance) C4'-P energy: -74.269 bonds (distance) P-C4' energy: -82.689 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -41.481 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: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -517.944502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.944502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.944502 (E_RNA) where: Base-Base interactions energy: -253.975 where: short stacking energy: -170.559 Base-Backbone interact. energy: 5.766 local terms energy: -269.735329 where: bonds (distance) C4'-P energy: -68.632 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -70.739 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -517.986280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.986280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.986280 (E_RNA) where: Base-Base interactions energy: -281.501 where: short stacking energy: -160.205 Base-Backbone interact. energy: 1.762 local terms energy: -238.246954 where: bonds (distance) C4'-P energy: -76.726 bonds (distance) P-C4' energy: -78.515 flat angles C4'-P-C4' energy: -37.756 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1469.460593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.460593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.460593 (E_RNA) where: Base-Base interactions energy: -984.390 where: short stacking energy: -431.491 Base-Backbone interact. energy: 0.240 local terms energy: -485.310684 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -86.681 flat angles C4'-P-C4' energy: -99.865 flat angles P-C4'-P energy: -76.687 tors. eta vs tors. theta energy: -113.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1422.634422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.634422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.634422 (E_RNA) where: Base-Base interactions energy: -960.324 where: short stacking energy: -404.630 Base-Backbone interact. energy: -3.806 local terms energy: -458.504344 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -94.636 flat angles C4'-P-C4' energy: -100.472 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -112.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1361.832486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.832486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.832486 (E_RNA) where: Base-Base interactions energy: -909.435 where: short stacking energy: -423.283 Base-Backbone interact. energy: -0.722 local terms energy: -451.676005 where: bonds (distance) C4'-P energy: -84.374 bonds (distance) P-C4' energy: -87.976 flat angles C4'-P-C4' energy: -111.580 flat angles P-C4'-P energy: -63.217 tors. eta vs tors. theta energy: -104.529 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: 4, replica: 7 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1151.610332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.610332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.610332 (E_RNA) where: Base-Base interactions energy: -719.036 where: short stacking energy: -368.231 Base-Backbone interact. energy: 2.384 local terms energy: -434.958083 where: bonds (distance) C4'-P energy: -89.133 bonds (distance) P-C4' energy: -103.449 flat angles C4'-P-C4' energy: -90.606 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -90.510 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: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -972.126968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.126968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.126968 (E_RNA) where: Base-Base interactions energy: -566.308 where: short stacking energy: -288.801 Base-Backbone interact. energy: -0.581 local terms energy: -405.237630 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -86.773 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -59.519 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: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -991.822799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.822799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.822799 (E_RNA) where: Base-Base interactions energy: -625.397 where: short stacking energy: -294.320 Base-Backbone interact. energy: -2.780 local terms energy: -363.645575 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -92.084 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -39.577 tors. eta vs tors. theta energy: -53.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -895.714644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.714644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.714644 (E_RNA) where: Base-Base interactions energy: -553.915 where: short stacking energy: -256.827 Base-Backbone interact. energy: 1.964 local terms energy: -343.763601 where: bonds (distance) C4'-P energy: -81.047 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -81.308 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -53.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -917.995334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.995334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.995334 (E_RNA) where: Base-Base interactions energy: -567.065 where: short stacking energy: -278.098 Base-Backbone interact. energy: -1.457 local terms energy: -349.473493 where: bonds (distance) C4'-P energy: -75.433 bonds (distance) P-C4' energy: -75.883 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -49.937 tors. eta vs tors. theta energy: -51.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -570.471609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.471609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.471609 (E_RNA) where: Base-Base interactions energy: -282.168 where: short stacking energy: -178.607 Base-Backbone interact. energy: 2.925 local terms energy: -291.228616 where: bonds (distance) C4'-P energy: -78.261 bonds (distance) P-C4' energy: -73.406 flat angles C4'-P-C4' energy: -52.040 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -29.755 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -474.508759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.508759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.508759 (E_RNA) where: Base-Base interactions energy: -239.524 where: short stacking energy: -146.391 Base-Backbone interact. energy: 4.802 local terms energy: -239.786886 where: bonds (distance) C4'-P energy: -77.538 bonds (distance) P-C4' energy: -87.898 flat angles C4'-P-C4' energy: -41.814 flat angles P-C4'-P energy: -32.727 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1477.260056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.260056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.260056 (E_RNA) where: Base-Base interactions energy: -997.031 where: short stacking energy: -442.738 Base-Backbone interact. energy: -0.482 local terms energy: -479.746104 where: bonds (distance) C4'-P energy: -93.062 bonds (distance) P-C4' energy: -100.636 flat angles C4'-P-C4' energy: -104.843 flat angles P-C4'-P energy: -72.255 tors. eta vs tors. theta energy: -108.950 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1352.990855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.990855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.990855 (E_RNA) where: Base-Base interactions energy: -894.798 where: short stacking energy: -405.795 Base-Backbone interact. energy: -1.634 local terms energy: -456.559192 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -99.620 flat angles P-C4'-P energy: -66.277 tors. eta vs tors. theta energy: -108.480 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: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1359.193527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.193527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.193527 (E_RNA) where: Base-Base interactions energy: -895.690 where: short stacking energy: -401.281 Base-Backbone interact. energy: -1.480 local terms energy: -462.022593 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -103.022 flat angles P-C4'-P energy: -72.804 tors. eta vs tors. theta energy: -106.746 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: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1164.060051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.060051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.060051 (E_RNA) where: Base-Base interactions energy: -759.648 where: short stacking energy: -372.991 Base-Backbone interact. energy: -1.508 local terms energy: -402.904545 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -85.592 flat angles P-C4'-P energy: -55.769 tors. eta vs tors. theta energy: -81.679 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: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1139.714073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.714073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.714073 (E_RNA) where: Base-Base interactions energy: -760.308 where: short stacking energy: -344.781 Base-Backbone interact. energy: -1.864 local terms energy: -377.542116 where: bonds (distance) C4'-P energy: -78.811 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -64.684 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: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -923.974652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.974652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.974652 (E_RNA) where: Base-Base interactions energy: -572.177 where: short stacking energy: -291.306 Base-Backbone interact. energy: 0.372 local terms energy: -352.169399 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -88.096 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -46.678 tors. eta vs tors. theta energy: -56.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -976.679163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.679163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.679163 (E_RNA) where: Base-Base interactions energy: -623.670 where: short stacking energy: -283.424 Base-Backbone interact. energy: -0.059 local terms energy: -352.950672 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -95.427 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -50.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -881.684017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.684017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.684017 (E_RNA) where: Base-Base interactions energy: -537.802 where: short stacking energy: -251.791 Base-Backbone interact. energy: 0.371 local terms energy: -344.252957 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -80.441 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -44.091 tors. eta vs tors. theta energy: -69.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -585.809135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.809135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.809135 (E_RNA) where: Base-Base interactions energy: -316.465 where: short stacking energy: -195.740 Base-Backbone interact. energy: 6.538 local terms energy: -275.882122 where: bonds (distance) C4'-P energy: -71.494 bonds (distance) P-C4' energy: -77.339 flat angles C4'-P-C4' energy: -83.995 flat angles P-C4'-P energy: -37.102 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: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -491.485371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.485371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.485371 (E_RNA) where: Base-Base interactions energy: -223.253 where: short stacking energy: -114.845 Base-Backbone interact. energy: -1.725 local terms energy: -266.507250 where: bonds (distance) C4'-P energy: -76.258 bonds (distance) P-C4' energy: -91.751 flat angles C4'-P-C4' energy: -79.122 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: 22.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1500.403362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.403362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.403362 (E_RNA) where: Base-Base interactions energy: -1022.046 where: short stacking energy: -435.344 Base-Backbone interact. energy: -0.515 local terms energy: -477.843029 where: bonds (distance) C4'-P energy: -98.731 bonds (distance) P-C4' energy: -105.146 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -56.176 tors. eta vs tors. theta energy: -112.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1402.302482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.302482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.302482 (E_RNA) where: Base-Base interactions energy: -943.129 where: short stacking energy: -387.675 Base-Backbone interact. energy: -3.273 local terms energy: -455.900659 where: bonds (distance) C4'-P energy: -95.729 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -95.406 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -99.921 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1341.393505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.393505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.393505 (E_RNA) where: Base-Base interactions energy: -887.068 where: short stacking energy: -410.208 Base-Backbone interact. energy: -0.592 local terms energy: -453.734070 where: bonds (distance) C4'-P energy: -88.143 bonds (distance) P-C4' energy: -91.578 flat angles C4'-P-C4' energy: -102.737 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -109.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1184.014643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.014643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.014643 (E_RNA) where: Base-Base interactions energy: -761.221 where: short stacking energy: -379.002 Base-Backbone interact. energy: -1.714 local terms energy: -421.080561 where: bonds (distance) C4'-P energy: -90.558 bonds (distance) P-C4' energy: -88.023 flat angles C4'-P-C4' energy: -90.154 flat angles P-C4'-P energy: -71.961 tors. eta vs tors. theta energy: -80.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1148.718663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.718663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.718663 (E_RNA) where: Base-Base interactions energy: -756.292 where: short stacking energy: -364.699 Base-Backbone interact. energy: -1.542 local terms energy: -390.884632 where: bonds (distance) C4'-P energy: -85.743 bonds (distance) P-C4' energy: -80.691 flat angles C4'-P-C4' energy: -94.811 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -74.636 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1020.115558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.115558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.115558 (E_RNA) where: Base-Base interactions energy: -640.090 where: short stacking energy: -310.285 Base-Backbone interact. energy: 4.471 local terms energy: -384.497048 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -94.242 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -61.568 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: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -894.253581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.253581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.253581 (E_RNA) where: Base-Base interactions energy: -538.481 where: short stacking energy: -277.985 Base-Backbone interact. energy: -3.187 local terms energy: -352.585597 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -81.348 flat angles C4'-P-C4' energy: -87.660 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -57.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -797.150981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.150981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.150981 (E_RNA) where: Base-Base interactions energy: -480.574 where: short stacking energy: -246.874 Base-Backbone interact. energy: -1.008 local terms energy: -315.569154 where: bonds (distance) C4'-P energy: -87.452 bonds (distance) P-C4' energy: -84.125 flat angles C4'-P-C4' energy: -67.541 flat angles P-C4'-P energy: -42.399 tors. eta vs tors. theta energy: -34.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -583.046645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.046645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.046645 (E_RNA) where: Base-Base interactions energy: -321.003 where: short stacking energy: -173.005 Base-Backbone interact. energy: 3.133 local terms energy: -265.176708 where: bonds (distance) C4'-P energy: -75.617 bonds (distance) P-C4' energy: -73.813 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -31.600 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -507.189150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.189150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.189150 (E_RNA) where: Base-Base interactions energy: -248.496 where: short stacking energy: -147.888 Base-Backbone interact. energy: 0.608 local terms energy: -259.301643 where: bonds (distance) C4'-P energy: -68.938 bonds (distance) P-C4' energy: -94.985 flat angles C4'-P-C4' energy: -51.519 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: 0.434 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: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1502.696544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.696544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.696544 (E_RNA) where: Base-Base interactions energy: -1016.893 where: short stacking energy: -467.984 Base-Backbone interact. energy: -3.166 local terms energy: -482.637564 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -98.668 flat angles C4'-P-C4' energy: -101.742 flat angles P-C4'-P energy: -71.124 tors. eta vs tors. theta energy: -125.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1417.375964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.375964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.375964 (E_RNA) where: Base-Base interactions energy: -961.561 where: short stacking energy: -427.138 Base-Backbone interact. energy: -1.897 local terms energy: -453.918184 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -88.263 flat angles C4'-P-C4' energy: -111.676 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: -99.534 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: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1332.007208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.007208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.007208 (E_RNA) where: Base-Base interactions energy: -878.661 where: short stacking energy: -412.910 Base-Backbone interact. energy: -5.854 local terms energy: -447.491550 where: bonds (distance) C4'-P energy: -100.324 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -103.877 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: 24 Temperature: 1.050000 Total energy: -1266.499058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.499058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.499058 (E_RNA) where: Base-Base interactions energy: -820.089 where: short stacking energy: -378.717 Base-Backbone interact. energy: -0.932 local terms energy: -445.478130 where: bonds (distance) C4'-P energy: -89.839 bonds (distance) P-C4' energy: -90.855 flat angles C4'-P-C4' energy: -95.442 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -102.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1140.329862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.329862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.329862 (E_RNA) where: Base-Base interactions energy: -774.040 where: short stacking energy: -324.999 Base-Backbone interact. energy: -4.853 local terms energy: -361.436845 where: bonds (distance) C4'-P energy: -83.313 bonds (distance) P-C4' energy: -77.508 flat angles C4'-P-C4' energy: -81.196 flat angles P-C4'-P energy: -61.110 tors. eta vs tors. theta energy: -58.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1037.403318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.403318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.403318 (E_RNA) where: Base-Base interactions energy: -675.536 where: short stacking energy: -315.684 Base-Backbone interact. energy: -1.357 local terms energy: -360.509779 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -94.801 flat angles C4'-P-C4' energy: -79.394 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -56.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -896.567180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.567180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.567180 (E_RNA) where: Base-Base interactions energy: -571.611 where: short stacking energy: -264.598 Base-Backbone interact. energy: -1.627 local terms energy: -323.329392 where: bonds (distance) C4'-P energy: -69.828 bonds (distance) P-C4' energy: -78.376 flat angles C4'-P-C4' energy: -90.244 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -40.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -787.382905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.382905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.382905 (E_RNA) where: Base-Base interactions energy: -448.092 where: short stacking energy: -240.733 Base-Backbone interact. energy: -2.783 local terms energy: -336.508431 where: bonds (distance) C4'-P energy: -92.259 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -89.037 flat angles P-C4'-P energy: -32.183 tors. eta vs tors. theta energy: -39.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -528.511455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.511455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.511455 (E_RNA) where: Base-Base interactions energy: -250.539 where: short stacking energy: -169.808 Base-Backbone interact. energy: 0.200 local terms energy: -278.172799 where: bonds (distance) C4'-P energy: -73.106 bonds (distance) P-C4' energy: -85.498 flat angles C4'-P-C4' energy: -78.009 flat angles P-C4'-P energy: -32.168 tors. eta vs tors. theta energy: -9.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -540.967854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.967854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.967854 (E_RNA) where: Base-Base interactions energy: -270.191 where: short stacking energy: -144.075 Base-Backbone interact. energy: -2.996 local terms energy: -267.780679 where: bonds (distance) C4'-P energy: -81.521 bonds (distance) P-C4' energy: -87.541 flat angles C4'-P-C4' energy: -60.247 flat angles P-C4'-P energy: -50.079 tors. eta vs tors. theta energy: 11.608 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: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1488.788054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.788054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.788054 (E_RNA) where: Base-Base interactions energy: -996.677 where: short stacking energy: -432.556 Base-Backbone interact. energy: -4.012 local terms energy: -488.098530 where: bonds (distance) C4'-P energy: -92.522 bonds (distance) P-C4' energy: -99.401 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -67.679 tors. eta vs tors. theta energy: -121.166 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: 25 Temperature: 0.950000 Total energy: -1437.981261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.981261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.981261 (E_RNA) where: Base-Base interactions energy: -975.077 where: short stacking energy: -422.338 Base-Backbone interact. energy: -1.619 local terms energy: -461.286001 where: bonds (distance) C4'-P energy: -102.067 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -109.472 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -103.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1347.331514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.331514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.331514 (E_RNA) where: Base-Base interactions energy: -897.442 where: short stacking energy: -395.417 Base-Backbone interact. energy: -0.723 local terms energy: -449.166330 where: bonds (distance) C4'-P energy: -92.874 bonds (distance) P-C4' energy: -101.738 flat angles C4'-P-C4' energy: -96.167 flat angles P-C4'-P energy: -55.937 tors. eta vs tors. theta energy: -102.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1291.820173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.820173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.820173 (E_RNA) where: Base-Base interactions energy: -872.036 where: short stacking energy: -399.892 Base-Backbone interact. energy: 3.217 local terms energy: -423.000394 where: bonds (distance) C4'-P energy: -81.239 bonds (distance) P-C4' energy: -82.603 flat angles C4'-P-C4' energy: -100.589 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -88.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1139.322732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.322732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.322732 (E_RNA) where: Base-Base interactions energy: -763.155 where: short stacking energy: -339.532 Base-Backbone interact. energy: -2.186 local terms energy: -373.981678 where: bonds (distance) C4'-P energy: -82.941 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -89.418 flat angles P-C4'-P energy: -46.640 tors. eta vs tors. theta energy: -70.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1047.534033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.534033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.534033 (E_RNA) where: Base-Base interactions energy: -683.927 where: short stacking energy: -302.013 Base-Backbone interact. energy: -6.208 local terms energy: -357.398422 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -75.998 flat angles P-C4'-P energy: -54.300 tors. eta vs tors. theta energy: -51.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -797.152427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.152427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.152427 (E_RNA) where: Base-Base interactions energy: -461.715 where: short stacking energy: -237.738 Base-Backbone interact. energy: -0.930 local terms energy: -334.507188 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -100.704 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: -17.647 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: 25 Temperature: 1.250000 Total energy: -718.909687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.909687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.909687 (E_RNA) where: Base-Base interactions energy: -397.188 where: short stacking energy: -193.672 Base-Backbone interact. energy: 0.428 local terms energy: -322.148912 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -87.716 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -28.553 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -543.895664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.895664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.895664 (E_RNA) where: Base-Base interactions energy: -245.740 where: short stacking energy: -172.092 Base-Backbone interact. energy: -3.123 local terms energy: -295.032803 where: bonds (distance) C4'-P energy: -85.614 bonds (distance) P-C4' energy: -84.051 flat angles C4'-P-C4' energy: -64.468 flat angles P-C4'-P energy: -32.827 tors. eta vs tors. theta energy: -28.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -571.582986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.582986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.582986 (E_RNA) where: Base-Base interactions energy: -292.313 where: short stacking energy: -166.269 Base-Backbone interact. energy: 1.088 local terms energy: -280.358158 where: bonds (distance) C4'-P energy: -82.094 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -61.978 flat angles P-C4'-P energy: -35.039 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: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1512.377553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.377553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.377553 (E_RNA) where: Base-Base interactions energy: -1045.677 where: short stacking energy: -448.863 Base-Backbone interact. energy: 1.993 local terms energy: -468.694054 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -102.408 flat angles P-C4'-P energy: -70.349 tors. eta vs tors. theta energy: -117.118 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: 26 Temperature: 0.950000 Total energy: -1440.610827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.610827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.610827 (E_RNA) where: Base-Base interactions energy: -990.264 where: short stacking energy: -418.621 Base-Backbone interact. energy: -3.617 local terms energy: -446.729240 where: bonds (distance) C4'-P energy: -86.515 bonds (distance) P-C4' energy: -97.862 flat angles C4'-P-C4' energy: -106.958 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -100.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1370.749200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.749200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.749200 (E_RNA) where: Base-Base interactions energy: -908.365 where: short stacking energy: -404.051 Base-Backbone interact. energy: 2.129 local terms energy: -464.513210 where: bonds (distance) C4'-P energy: -87.989 bonds (distance) P-C4' energy: -91.870 flat angles C4'-P-C4' energy: -110.612 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -113.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1303.637952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.637952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.637952 (E_RNA) where: Base-Base interactions energy: -851.205 where: short stacking energy: -408.851 Base-Backbone interact. energy: -0.886 local terms energy: -451.546773 where: bonds (distance) C4'-P energy: -96.107 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -91.914 flat angles P-C4'-P energy: -60.057 tors. eta vs tors. theta energy: -117.158 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1143.593899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.593899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.593899 (E_RNA) where: Base-Base interactions energy: -754.716 where: short stacking energy: -322.303 Base-Backbone interact. energy: -2.632 local terms energy: -386.245523 where: bonds (distance) C4'-P energy: -75.840 bonds (distance) P-C4' energy: -93.436 flat angles C4'-P-C4' energy: -91.078 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -76.249 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: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1082.527883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.527883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.527883 (E_RNA) where: Base-Base interactions energy: -703.435 where: short stacking energy: -326.285 Base-Backbone interact. energy: 0.345 local terms energy: -379.437694 where: bonds (distance) C4'-P energy: -88.864 bonds (distance) P-C4' energy: -86.458 flat angles C4'-P-C4' energy: -84.218 flat angles P-C4'-P energy: -46.691 tors. eta vs tors. theta energy: -73.206 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: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -797.129242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.129242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.129242 (E_RNA) where: Base-Base interactions energy: -463.060 where: short stacking energy: -214.742 Base-Backbone interact. energy: -2.229 local terms energy: -331.840282 where: bonds (distance) C4'-P energy: -80.787 bonds (distance) P-C4' energy: -80.591 flat angles C4'-P-C4' energy: -88.332 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -28.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -690.749386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.749386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.749386 (E_RNA) where: Base-Base interactions energy: -398.555 where: short stacking energy: -208.356 Base-Backbone interact. energy: 4.697 local terms energy: -296.891247 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -94.187 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -42.952 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -586.832640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.832640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.832640 (E_RNA) where: Base-Base interactions energy: -305.425 where: short stacking energy: -192.829 Base-Backbone interact. energy: 0.033 local terms energy: -281.440593 where: bonds (distance) C4'-P energy: -76.643 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -45.673 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: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -558.533888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.533888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.533888 (E_RNA) where: Base-Base interactions energy: -276.538 where: short stacking energy: -161.834 Base-Backbone interact. energy: -2.226 local terms energy: -279.769526 where: bonds (distance) C4'-P energy: -90.299 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -56.307 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -9.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1485.674995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.674995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.674995 (E_RNA) where: Base-Base interactions energy: -994.270 where: short stacking energy: -466.130 Base-Backbone interact. energy: -1.767 local terms energy: -489.638712 where: bonds (distance) C4'-P energy: -91.531 bonds (distance) P-C4' energy: -96.150 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -71.883 tors. eta vs tors. theta energy: -122.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1416.069063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.069063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.069063 (E_RNA) where: Base-Base interactions energy: -941.956 where: short stacking energy: -445.831 Base-Backbone interact. energy: 3.785 local terms energy: -477.898159 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -94.715 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -61.312 tors. eta vs tors. theta energy: -120.238 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: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1384.177545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.177545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.177545 (E_RNA) where: Base-Base interactions energy: -949.141 where: short stacking energy: -401.910 Base-Backbone interact. energy: -1.547 local terms energy: -433.489752 where: bonds (distance) C4'-P energy: -80.472 bonds (distance) P-C4' energy: -94.302 flat angles C4'-P-C4' energy: -93.892 flat angles P-C4'-P energy: -65.331 tors. eta vs tors. theta energy: -99.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1336.686868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.686868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.686868 (E_RNA) where: Base-Base interactions energy: -894.186 where: short stacking energy: -395.456 Base-Backbone interact. energy: -0.282 local terms energy: -442.218569 where: bonds (distance) C4'-P energy: -95.957 bonds (distance) P-C4' energy: -88.341 flat angles C4'-P-C4' energy: -100.724 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -104.822 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: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1139.245854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.245854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.245854 (E_RNA) where: Base-Base interactions energy: -757.214 where: short stacking energy: -343.622 Base-Backbone interact. energy: -1.198 local terms energy: -380.833957 where: bonds (distance) C4'-P energy: -82.432 bonds (distance) P-C4' energy: -81.292 flat angles C4'-P-C4' energy: -90.951 flat angles P-C4'-P energy: -53.427 tors. eta vs tors. theta energy: -72.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1062.883413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.883413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.883413 (E_RNA) where: Base-Base interactions energy: -691.887 where: short stacking energy: -333.207 Base-Backbone interact. energy: -3.306 local terms energy: -367.689882 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -74.551 flat angles C4'-P-C4' energy: -96.252 flat angles P-C4'-P energy: -41.783 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: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -775.191076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.191076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.191076 (E_RNA) where: Base-Base interactions energy: -452.805 where: short stacking energy: -253.925 Base-Backbone interact. energy: -2.122 local terms energy: -320.264138 where: bonds (distance) C4'-P energy: -92.742 bonds (distance) P-C4' energy: -83.352 flat angles C4'-P-C4' energy: -81.439 flat angles P-C4'-P energy: -28.545 tors. eta vs tors. theta energy: -34.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -726.581285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.581285 (E_RNA) where: Base-Base interactions energy: -397.203 where: short stacking energy: -217.881 Base-Backbone interact. energy: -1.800 local terms energy: -327.578938 where: bonds (distance) C4'-P energy: -79.594 bonds (distance) P-C4' energy: -81.692 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -39.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -549.363855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.363855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.363855 (E_RNA) where: Base-Base interactions energy: -262.499 where: short stacking energy: -141.608 Base-Backbone interact. energy: 4.266 local terms energy: -291.130669 where: bonds (distance) C4'-P energy: -71.054 bonds (distance) P-C4' energy: -89.793 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -38.611 tors. eta vs tors. theta energy: -11.298 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: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -524.564261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.564261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.564261 (E_RNA) where: Base-Base interactions energy: -265.352 where: short stacking energy: -156.653 Base-Backbone interact. energy: -0.084 local terms energy: -259.128236 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -81.645 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -35.476 tors. eta vs tors. theta energy: -2.324 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: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1454.408788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.408788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.408788 (E_RNA) where: Base-Base interactions energy: -968.308 where: short stacking energy: -457.942 Base-Backbone interact. energy: 3.103 local terms energy: -489.204177 where: bonds (distance) C4'-P energy: -94.815 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -104.233 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -120.884 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: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1416.902417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.902417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.902417 (E_RNA) where: Base-Base interactions energy: -927.799 where: short stacking energy: -427.030 Base-Backbone interact. energy: -2.553 local terms energy: -486.550985 where: bonds (distance) C4'-P energy: -97.869 bonds (distance) P-C4' energy: -99.993 flat angles C4'-P-C4' energy: -102.040 flat angles P-C4'-P energy: -73.582 tors. eta vs tors. theta energy: -113.067 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: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1405.235457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.235457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.235457 (E_RNA) where: Base-Base interactions energy: -949.487 where: short stacking energy: -424.708 Base-Backbone interact. energy: 3.273 local terms energy: -459.021890 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -92.255 flat angles C4'-P-C4' energy: -103.137 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -115.831 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1369.827954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.827954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.827954 (E_RNA) where: Base-Base interactions energy: -931.194 where: short stacking energy: -407.441 Base-Backbone interact. energy: -1.008 local terms energy: -437.625140 where: bonds (distance) C4'-P energy: -78.835 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -105.150 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: -104.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1132.564889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.564889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.564889 (E_RNA) where: Base-Base interactions energy: -736.555 where: short stacking energy: -340.206 Base-Backbone interact. energy: -0.353 local terms energy: -395.657128 where: bonds (distance) C4'-P energy: -88.742 bonds (distance) P-C4' energy: -80.907 flat angles C4'-P-C4' energy: -98.282 flat angles P-C4'-P energy: -50.156 tors. eta vs tors. theta energy: -77.570 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: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1076.402926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.402926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.402926 (E_RNA) where: Base-Base interactions energy: -730.188 where: short stacking energy: -309.476 Base-Backbone interact. energy: -4.255 local terms energy: -341.959534 where: bonds (distance) C4'-P energy: -71.349 bonds (distance) P-C4' energy: -83.036 flat angles C4'-P-C4' energy: -88.256 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: -56.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -785.671964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.671964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.671964 (E_RNA) where: Base-Base interactions energy: -437.662 where: short stacking energy: -256.129 Base-Backbone interact. energy: -0.561 local terms energy: -347.448811 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -84.365 flat angles C4'-P-C4' energy: -85.677 flat angles P-C4'-P energy: -56.794 tors. eta vs tors. theta energy: -54.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -665.427226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.427226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.427226 (E_RNA) where: Base-Base interactions energy: -381.198 where: short stacking energy: -183.433 Base-Backbone interact. energy: -1.170 local terms energy: -283.060043 where: bonds (distance) C4'-P energy: -68.482 bonds (distance) P-C4' energy: -91.660 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -36.265 tors. eta vs tors. theta energy: -8.386 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: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -513.817229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.817229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.817229 (E_RNA) where: Base-Base interactions energy: -244.422 where: short stacking energy: -167.019 Base-Backbone interact. energy: 3.659 local terms energy: -273.054594 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -90.674 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: 7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -494.381318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.381318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.381318 (E_RNA) where: Base-Base interactions energy: -226.043 where: short stacking energy: -146.762 Base-Backbone interact. energy: 1.243 local terms energy: -269.580829 where: bonds (distance) C4'-P energy: -93.188 bonds (distance) P-C4' energy: -54.991 flat angles C4'-P-C4' energy: -77.406 flat angles P-C4'-P energy: -36.488 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1489.189763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.189763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.189763 (E_RNA) where: Base-Base interactions energy: -986.445 where: short stacking energy: -436.656 Base-Backbone interact. energy: -4.532 local terms energy: -498.213140 where: bonds (distance) C4'-P energy: -98.056 bonds (distance) P-C4' energy: -97.243 flat angles C4'-P-C4' energy: -109.163 flat angles P-C4'-P energy: -64.924 tors. eta vs tors. theta energy: -128.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1467.464854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.464854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.464854 (E_RNA) where: Base-Base interactions energy: -998.999 where: short stacking energy: -441.921 Base-Backbone interact. energy: -0.799 local terms energy: -467.666797 where: bonds (distance) C4'-P energy: -99.159 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -100.836 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -116.564 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: 29 Temperature: 1.000000 Total energy: -1409.974299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.974299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.974299 (E_RNA) where: Base-Base interactions energy: -975.708 where: short stacking energy: -415.146 Base-Backbone interact. energy: -2.460 local terms energy: -431.806326 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -84.192 flat angles C4'-P-C4' energy: -99.073 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -98.145 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: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1312.422260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.422260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.422260 (E_RNA) where: Base-Base interactions energy: -881.126 where: short stacking energy: -408.086 Base-Backbone interact. energy: 1.728 local terms energy: -433.025052 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -76.412 flat angles C4'-P-C4' energy: -99.008 flat angles P-C4'-P energy: -68.952 tors. eta vs tors. theta energy: -100.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1103.601351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.601351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.601351 (E_RNA) where: Base-Base interactions energy: -735.191 where: short stacking energy: -344.567 Base-Backbone interact. energy: -1.038 local terms energy: -367.373053 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -81.634 flat angles C4'-P-C4' energy: -91.269 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -71.350 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: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1073.863820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.863820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.863820 (E_RNA) where: Base-Base interactions energy: -702.207 where: short stacking energy: -310.833 Base-Backbone interact. energy: 3.359 local terms energy: -375.015895 where: bonds (distance) C4'-P energy: -81.356 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -57.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -832.294515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.294515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.294515 (E_RNA) where: Base-Base interactions energy: -478.898 where: short stacking energy: -246.223 Base-Backbone interact. energy: 0.841 local terms energy: -354.237830 where: bonds (distance) C4'-P energy: -97.934 bonds (distance) P-C4' energy: -72.369 flat angles C4'-P-C4' energy: -85.821 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: -44.414 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -682.175548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.175548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.175548 (E_RNA) where: Base-Base interactions energy: -372.910 where: short stacking energy: -193.892 Base-Backbone interact. energy: 1.749 local terms energy: -311.014538 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -90.102 flat angles C4'-P-C4' energy: -74.789 flat angles P-C4'-P energy: -51.162 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -514.934263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.934263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.934263 (E_RNA) where: Base-Base interactions energy: -250.544 where: short stacking energy: -156.188 Base-Backbone interact. energy: -2.478 local terms energy: -261.912155 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -71.181 flat angles C4'-P-C4' energy: -79.880 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: 4.305 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: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -496.006100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.006100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.006100 (E_RNA) where: Base-Base interactions energy: -224.531 where: short stacking energy: -149.576 Base-Backbone interact. energy: 1.821 local terms energy: -273.296310 where: bonds (distance) C4'-P energy: -77.951 bonds (distance) P-C4' energy: -99.951 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -30.472 tors. eta vs tors. theta energy: 3.692 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: 30 Temperature: 0.900000 Total energy: -1481.365917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.365917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.365917 (E_RNA) where: Base-Base interactions energy: -993.834 where: short stacking energy: -459.999 Base-Backbone interact. energy: -2.173 local terms energy: -485.358888 where: bonds (distance) C4'-P energy: -91.367 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -100.255 flat angles P-C4'-P energy: -60.944 tors. eta vs tors. theta energy: -131.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1379.566548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.566548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.566548 (E_RNA) where: Base-Base interactions energy: -900.934 where: short stacking energy: -415.143 Base-Backbone interact. energy: 2.619 local terms energy: -481.251508 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -96.915 flat angles C4'-P-C4' energy: -110.187 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -116.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1435.277094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.277094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.277094 (E_RNA) where: Base-Base interactions energy: -976.059 where: short stacking energy: -437.155 Base-Backbone interact. energy: -0.270 local terms energy: -458.947707 where: bonds (distance) C4'-P energy: -86.632 bonds (distance) P-C4' energy: -98.510 flat angles C4'-P-C4' energy: -92.332 flat angles P-C4'-P energy: -69.423 tors. eta vs tors. theta energy: -112.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1290.348070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.348070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.348070 (E_RNA) where: Base-Base interactions energy: -864.910 where: short stacking energy: -371.291 Base-Backbone interact. energy: 1.482 local terms energy: -426.919920 where: bonds (distance) C4'-P energy: -73.753 bonds (distance) P-C4' energy: -94.221 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -58.614 tors. eta vs tors. theta energy: -102.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1096.792580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.792580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.792580 (E_RNA) where: Base-Base interactions energy: -719.338 where: short stacking energy: -318.103 Base-Backbone interact. energy: -0.982 local terms energy: -376.473138 where: bonds (distance) C4'-P energy: -75.686 bonds (distance) P-C4' energy: -98.421 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -57.597 tors. eta vs tors. theta energy: -68.034 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: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1099.999395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.999395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.999395 (E_RNA) where: Base-Base interactions energy: -712.079 where: short stacking energy: -337.593 Base-Backbone interact. energy: -0.017 local terms energy: -387.903303 where: bonds (distance) C4'-P energy: -80.888 bonds (distance) P-C4' energy: -102.515 flat angles C4'-P-C4' energy: -83.280 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -73.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -797.532726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.532726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.532726 (E_RNA) where: Base-Base interactions energy: -476.275 where: short stacking energy: -222.359 Base-Backbone interact. energy: 0.638 local terms energy: -321.895466 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -75.847 flat angles C4'-P-C4' energy: -65.547 flat angles P-C4'-P energy: -51.681 tors. eta vs tors. theta energy: -37.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -694.066374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.066374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.066374 (E_RNA) where: Base-Base interactions energy: -400.644 where: short stacking energy: -229.230 Base-Backbone interact. energy: -0.672 local terms energy: -292.749500 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -73.143 flat angles C4'-P-C4' energy: -81.328 flat angles P-C4'-P energy: -45.837 tors. eta vs tors. theta energy: -15.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -527.614224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.614224 (E_RNA) where: Base-Base interactions energy: -247.285 where: short stacking energy: -152.317 Base-Backbone interact. energy: -0.826 local terms energy: -279.503212 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -49.832 tors. eta vs tors. theta energy: 14.960 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: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -520.355233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.355233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.355233 (E_RNA) where: Base-Base interactions energy: -255.250 where: short stacking energy: -148.578 Base-Backbone interact. energy: 2.951 local terms energy: -268.055727 where: bonds (distance) C4'-P energy: -73.035 bonds (distance) P-C4' energy: -87.224 flat angles C4'-P-C4' energy: -48.243 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -5.556 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: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1524.543291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.543291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.543291 (E_RNA) where: Base-Base interactions energy: -1014.451 where: short stacking energy: -472.214 Base-Backbone interact. energy: -1.226 local terms energy: -508.866383 where: bonds (distance) C4'-P energy: -97.873 bonds (distance) P-C4' energy: -90.418 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -80.317 tors. eta vs tors. theta energy: -134.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1451.279613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.279613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.279613 (E_RNA) where: Base-Base interactions energy: -1002.474 where: short stacking energy: -451.211 Base-Backbone interact. energy: -3.251 local terms energy: -445.554559 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -85.541 flat angles C4'-P-C4' energy: -108.343 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -113.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1360.104663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.104663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.104663 (E_RNA) where: Base-Base interactions energy: -915.100 where: short stacking energy: -414.350 Base-Backbone interact. energy: -6.478 local terms energy: -438.527123 where: bonds (distance) C4'-P energy: -84.308 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -98.856 flat angles P-C4'-P energy: -57.948 tors. eta vs tors. theta energy: -106.219 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: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1318.805379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.805379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.805379 (E_RNA) where: Base-Base interactions energy: -843.075 where: short stacking energy: -385.982 Base-Backbone interact. energy: -1.379 local terms energy: -474.351348 where: bonds (distance) C4'-P energy: -90.490 bonds (distance) P-C4' energy: -105.034 flat angles C4'-P-C4' energy: -97.509 flat angles P-C4'-P energy: -67.925 tors. eta vs tors. theta energy: -113.394 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: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1104.498448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.498448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.498448 (E_RNA) where: Base-Base interactions energy: -708.904 where: short stacking energy: -310.207 Base-Backbone interact. energy: -1.225 local terms energy: -394.369192 where: bonds (distance) C4'-P energy: -82.539 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -88.201 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -68.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1128.616544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.616544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.616544 (E_RNA) where: Base-Base interactions energy: -730.964 where: short stacking energy: -343.278 Base-Backbone interact. energy: -0.366 local terms energy: -397.285719 where: bonds (distance) C4'-P energy: -75.636 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -89.626 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: -85.643 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: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -887.400621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.400621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.400621 (E_RNA) where: Base-Base interactions energy: -544.040 where: short stacking energy: -294.716 Base-Backbone interact. energy: -1.464 local terms energy: -341.896512 where: bonds (distance) C4'-P energy: -79.167 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -80.224 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: -54.215 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: 31 Temperature: 1.250000 Total energy: -715.214890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.214890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.214890 (E_RNA) where: Base-Base interactions energy: -401.784 where: short stacking energy: -229.986 Base-Backbone interact. energy: -1.244 local terms energy: -312.187421 where: bonds (distance) C4'-P energy: -72.153 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: -25.469 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -584.413685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.413685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.413685 (E_RNA) where: Base-Base interactions energy: -329.192 where: short stacking energy: -184.234 Base-Backbone interact. energy: 10.272 local terms energy: -265.494373 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -90.478 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -517.607336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.607336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.607336 (E_RNA) where: Base-Base interactions energy: -244.810 where: short stacking energy: -156.591 Base-Backbone interact. energy: 1.018 local terms energy: -273.815426 where: bonds (distance) C4'-P energy: -72.865 bonds (distance) P-C4' energy: -79.272 flat angles C4'-P-C4' energy: -66.115 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1503.379576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.379576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.379576 (E_RNA) where: Base-Base interactions energy: -1015.427 where: short stacking energy: -473.779 Base-Backbone interact. energy: -1.087 local terms energy: -486.866060 where: bonds (distance) C4'-P energy: -86.616 bonds (distance) P-C4' energy: -108.230 flat angles C4'-P-C4' energy: -104.366 flat angles P-C4'-P energy: -51.376 tors. eta vs tors. theta energy: -136.279 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: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1450.318700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.318700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.318700 (E_RNA) where: Base-Base interactions energy: -1006.599 where: short stacking energy: -459.169 Base-Backbone interact. energy: 0.976 local terms energy: -444.695314 where: bonds (distance) C4'-P energy: -77.582 bonds (distance) P-C4' energy: -77.132 flat angles C4'-P-C4' energy: -104.439 flat angles P-C4'-P energy: -73.069 tors. eta vs tors. theta energy: -112.474 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: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1416.159682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.159682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.159682 (E_RNA) where: Base-Base interactions energy: -947.890 where: short stacking energy: -471.747 Base-Backbone interact. energy: -0.811 local terms energy: -467.459218 where: bonds (distance) C4'-P energy: -86.512 bonds (distance) P-C4' energy: -85.231 flat angles C4'-P-C4' energy: -102.099 flat angles P-C4'-P energy: -67.728 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: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1349.274496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.274496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.274496 (E_RNA) where: Base-Base interactions energy: -935.994 where: short stacking energy: -393.523 Base-Backbone interact. energy: -1.429 local terms energy: -411.850807 where: bonds (distance) C4'-P energy: -89.377 bonds (distance) P-C4' energy: -73.536 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -99.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1153.461156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.461156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.461156 (E_RNA) where: Base-Base interactions energy: -742.074 where: short stacking energy: -347.973 Base-Backbone interact. energy: -2.860 local terms energy: -408.526854 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -93.340 flat angles C4'-P-C4' energy: -82.902 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -75.844 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1050.043573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.043573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.043573 (E_RNA) where: Base-Base interactions energy: -671.552 where: short stacking energy: -310.846 Base-Backbone interact. energy: -3.131 local terms energy: -375.360330 where: bonds (distance) C4'-P energy: -91.341 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -37.918 tors. eta vs tors. theta energy: -58.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -875.473787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.473787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.473787 (E_RNA) where: Base-Base interactions energy: -528.821 where: short stacking energy: -247.189 Base-Backbone interact. energy: -0.898 local terms energy: -345.755197 where: bonds (distance) C4'-P energy: -70.199 bonds (distance) P-C4' energy: -88.878 flat angles C4'-P-C4' energy: -86.962 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: -40.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -777.728103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.728103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.728103 (E_RNA) where: Base-Base interactions energy: -456.834 where: short stacking energy: -233.290 Base-Backbone interact. energy: 1.233 local terms energy: -322.127321 where: bonds (distance) C4'-P energy: -78.288 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -73.089 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -47.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -614.554994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.554994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.554994 (E_RNA) where: Base-Base interactions energy: -314.672 where: short stacking energy: -189.792 Base-Backbone interact. energy: 2.985 local terms energy: -302.867400 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -82.609 flat angles C4'-P-C4' energy: -83.500 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -11.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -478.958825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.958825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.958825 (E_RNA) where: Base-Base interactions energy: -257.088 where: short stacking energy: -147.730 Base-Backbone interact. energy: -0.692 local terms energy: -221.179308 where: bonds (distance) C4'-P energy: -55.136 bonds (distance) P-C4' energy: -76.375 flat angles C4'-P-C4' energy: -58.970 flat angles P-C4'-P energy: -38.068 tors. eta vs tors. theta energy: 7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1521.812644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.812644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.812644 (E_RNA) where: Base-Base interactions energy: -1029.386 where: short stacking energy: -452.624 Base-Backbone interact. energy: -2.919 local terms energy: -489.507300 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -100.633 flat angles C4'-P-C4' energy: -112.334 flat angles P-C4'-P energy: -67.674 tors. eta vs tors. theta energy: -130.125 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: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1436.913533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.913533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.913533 (E_RNA) where: Base-Base interactions energy: -984.975 where: short stacking energy: -414.886 Base-Backbone interact. energy: 0.241 local terms energy: -452.178934 where: bonds (distance) C4'-P energy: -89.505 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -95.211 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -104.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1409.230151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.230151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.230151 (E_RNA) where: Base-Base interactions energy: -925.747 where: short stacking energy: -456.240 Base-Backbone interact. energy: -1.419 local terms energy: -482.064519 where: bonds (distance) C4'-P energy: -92.301 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -93.458 flat angles P-C4'-P energy: -64.784 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: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1337.216119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.216119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.216119 (E_RNA) where: Base-Base interactions energy: -895.407 where: short stacking energy: -377.924 Base-Backbone interact. energy: -1.531 local terms energy: -440.278373 where: bonds (distance) C4'-P energy: -85.370 bonds (distance) P-C4' energy: -99.456 flat angles C4'-P-C4' energy: -89.283 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: -99.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1203.511849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.511849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.511849 (E_RNA) where: Base-Base interactions energy: -788.103 where: short stacking energy: -380.820 Base-Backbone interact. energy: -4.638 local terms energy: -410.770166 where: bonds (distance) C4'-P energy: -71.866 bonds (distance) P-C4' energy: -99.009 flat angles C4'-P-C4' energy: -88.490 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -102.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1050.029035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.029035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.029035 (E_RNA) where: Base-Base interactions energy: -671.967 where: short stacking energy: -300.917 Base-Backbone interact. energy: -5.416 local terms energy: -372.645670 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -94.576 flat angles C4'-P-C4' energy: -86.607 flat angles P-C4'-P energy: -59.753 tors. eta vs tors. theta energy: -58.940 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: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -906.899001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.899001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.899001 (E_RNA) where: Base-Base interactions energy: -536.165 where: short stacking energy: -252.061 Base-Backbone interact. energy: -2.364 local terms energy: -368.370502 where: bonds (distance) C4'-P energy: -82.814 bonds (distance) P-C4' energy: -85.381 flat angles C4'-P-C4' energy: -85.110 flat angles P-C4'-P energy: -54.501 tors. eta vs tors. theta energy: -60.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -814.381394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.381394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.381394 (E_RNA) where: Base-Base interactions energy: -498.793 where: short stacking energy: -224.396 Base-Backbone interact. energy: 0.435 local terms energy: -316.023961 where: bonds (distance) C4'-P energy: -84.490 bonds (distance) P-C4' energy: -73.851 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -49.462 tors. eta vs tors. theta energy: -35.555 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: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -634.995365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.995365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.995365 (E_RNA) where: Base-Base interactions energy: -342.350 where: short stacking energy: -163.960 Base-Backbone interact. energy: -1.827 local terms energy: -290.818798 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -87.148 flat angles C4'-P-C4' energy: -70.969 flat angles P-C4'-P energy: -45.235 tors. eta vs tors. theta energy: -15.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -550.147518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.147518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.147518 (E_RNA) where: Base-Base interactions energy: -265.103 where: short stacking energy: -162.623 Base-Backbone interact. energy: -0.422 local terms energy: -284.622959 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -80.806 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -10.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1532.823623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.823623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.823623 (E_RNA) where: Base-Base interactions energy: -1044.562 where: short stacking energy: -451.466 Base-Backbone interact. energy: -0.900 local terms energy: -487.361658 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -106.825 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -136.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1430.902995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.902995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.902995 (E_RNA) where: Base-Base interactions energy: -977.074 where: short stacking energy: -405.143 Base-Backbone interact. energy: -5.962 local terms energy: -447.867860 where: bonds (distance) C4'-P energy: -84.892 bonds (distance) P-C4' energy: -98.067 flat angles C4'-P-C4' energy: -98.555 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -102.819 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: 34 Temperature: 1.000000 Total energy: -1411.034307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.034307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.034307 (E_RNA) where: Base-Base interactions energy: -934.246 where: short stacking energy: -436.361 Base-Backbone interact. energy: 0.972 local terms energy: -477.760211 where: bonds (distance) C4'-P energy: -90.536 bonds (distance) P-C4' energy: -85.267 flat angles C4'-P-C4' energy: -101.949 flat angles P-C4'-P energy: -79.980 tors. eta vs tors. theta energy: -120.028 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: 34 Temperature: 1.050000 Total energy: -1296.777512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.777512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.777512 (E_RNA) where: Base-Base interactions energy: -867.263 where: short stacking energy: -367.516 Base-Backbone interact. energy: -2.825 local terms energy: -426.689086 where: bonds (distance) C4'-P energy: -87.514 bonds (distance) P-C4' energy: -87.455 flat angles C4'-P-C4' energy: -100.585 flat angles P-C4'-P energy: -62.862 tors. eta vs tors. theta energy: -88.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1203.852705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.852705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.852705 (E_RNA) where: Base-Base interactions energy: -814.989 where: short stacking energy: -378.837 Base-Backbone interact. energy: -1.787 local terms energy: -387.077013 where: bonds (distance) C4'-P energy: -60.991 bonds (distance) P-C4' energy: -95.601 flat angles C4'-P-C4' energy: -84.529 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -90.453 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: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1068.029589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.029589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.029589 (E_RNA) where: Base-Base interactions energy: -679.409 where: short stacking energy: -329.347 Base-Backbone interact. energy: -1.037 local terms energy: -387.584233 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -90.032 flat angles C4'-P-C4' energy: -96.926 flat angles P-C4'-P energy: -56.064 tors. eta vs tors. theta energy: -68.423 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: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -855.623268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.623268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.623268 (E_RNA) where: Base-Base interactions energy: -541.111 where: short stacking energy: -267.570 Base-Backbone interact. energy: 1.907 local terms energy: -316.419340 where: bonds (distance) C4'-P energy: -76.577 bonds (distance) P-C4' energy: -92.473 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -30.935 tors. eta vs tors. theta energy: -48.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -803.867502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.867502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.867502 (E_RNA) where: Base-Base interactions energy: -484.321 where: short stacking energy: -233.493 Base-Backbone interact. energy: -1.639 local terms energy: -317.907845 where: bonds (distance) C4'-P energy: -76.428 bonds (distance) P-C4' energy: -84.621 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -38.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -602.042693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.042693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.042693 (E_RNA) where: Base-Base interactions energy: -311.606 where: short stacking energy: -180.147 Base-Backbone interact. energy: -2.009 local terms energy: -288.427674 where: bonds (distance) C4'-P energy: -78.398 bonds (distance) P-C4' energy: -71.617 flat angles C4'-P-C4' energy: -75.162 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -15.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -510.621844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.621844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.621844 (E_RNA) where: Base-Base interactions energy: -238.234 where: short stacking energy: -133.886 Base-Backbone interact. energy: -1.542 local terms energy: -270.845452 where: bonds (distance) C4'-P energy: -76.928 bonds (distance) P-C4' energy: -78.693 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: 1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1520.001845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.001845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.001845 (E_RNA) where: Base-Base interactions energy: -1030.880 where: short stacking energy: -445.511 Base-Backbone interact. energy: 0.111 local terms energy: -489.233331 where: bonds (distance) C4'-P energy: -94.870 bonds (distance) P-C4' energy: -101.886 flat angles C4'-P-C4' energy: -109.401 flat angles P-C4'-P energy: -61.560 tors. eta vs tors. theta energy: -121.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1421.094256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.094256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.094256 (E_RNA) where: Base-Base interactions energy: -977.051 where: short stacking energy: -408.658 Base-Backbone interact. energy: -2.663 local terms energy: -441.379851 where: bonds (distance) C4'-P energy: -87.096 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -96.344 flat angles P-C4'-P energy: -70.373 tors. eta vs tors. theta energy: -96.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1453.949954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.949954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.949954 (E_RNA) where: Base-Base interactions energy: -984.091 where: short stacking energy: -446.094 Base-Backbone interact. energy: -2.302 local terms energy: -467.556237 where: bonds (distance) C4'-P energy: -86.054 bonds (distance) P-C4' energy: -94.383 flat angles C4'-P-C4' energy: -98.051 flat angles P-C4'-P energy: -69.219 tors. eta vs tors. theta energy: -119.849 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: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1374.727790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.727790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.727790 (E_RNA) where: Base-Base interactions energy: -939.960 where: short stacking energy: -404.933 Base-Backbone interact. energy: 1.931 local terms energy: -436.699611 where: bonds (distance) C4'-P energy: -84.547 bonds (distance) P-C4' energy: -78.774 flat angles C4'-P-C4' energy: -95.684 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: -101.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1226.387121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.387121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.387121 (E_RNA) where: Base-Base interactions energy: -835.315 where: short stacking energy: -369.267 Base-Backbone interact. energy: -0.253 local terms energy: -390.819013 where: bonds (distance) C4'-P energy: -75.457 bonds (distance) P-C4' energy: -89.910 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: -88.444 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: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1059.069251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.069251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.069251 (E_RNA) where: Base-Base interactions energy: -693.444 where: short stacking energy: -319.418 Base-Backbone interact. energy: -2.730 local terms energy: -362.895588 where: bonds (distance) C4'-P energy: -62.450 bonds (distance) P-C4' energy: -81.053 flat angles C4'-P-C4' energy: -101.093 flat angles P-C4'-P energy: -39.972 tors. eta vs tors. theta energy: -78.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -867.882292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.882292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.882292 (E_RNA) where: Base-Base interactions energy: -524.867 where: short stacking energy: -260.576 Base-Backbone interact. energy: 4.550 local terms energy: -347.565560 where: bonds (distance) C4'-P energy: -83.951 bonds (distance) P-C4' energy: -81.323 flat angles C4'-P-C4' energy: -82.440 flat angles P-C4'-P energy: -52.586 tors. eta vs tors. theta energy: -47.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -791.461804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.461804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.461804 (E_RNA) where: Base-Base interactions energy: -510.962 where: short stacking energy: -257.062 Base-Backbone interact. energy: 0.349 local terms energy: -280.848726 where: bonds (distance) C4'-P energy: -60.174 bonds (distance) P-C4' energy: -76.447 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -37.648 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: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -619.681561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.681561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.681561 (E_RNA) where: Base-Base interactions energy: -317.002 where: short stacking energy: -173.904 Base-Backbone interact. energy: 0.947 local terms energy: -303.625826 where: bonds (distance) C4'-P energy: -92.836 bonds (distance) P-C4' energy: -87.653 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -10.284 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -547.543949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.543949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.543949 (E_RNA) where: Base-Base interactions energy: -270.237 where: short stacking energy: -173.912 Base-Backbone interact. energy: 2.448 local terms energy: -279.755478 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -82.086 flat angles C4'-P-C4' energy: -70.322 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: -8.511 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: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1522.605750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.605750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.605750 (E_RNA) where: Base-Base interactions energy: -1026.419 where: short stacking energy: -428.934 Base-Backbone interact. energy: -4.051 local terms energy: -492.135721 where: bonds (distance) C4'-P energy: -93.272 bonds (distance) P-C4' energy: -91.882 flat angles C4'-P-C4' energy: -106.317 flat angles P-C4'-P energy: -72.732 tors. eta vs tors. theta energy: -127.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1390.658915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.658915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.658915 (E_RNA) where: Base-Base interactions energy: -943.489 where: short stacking energy: -429.833 Base-Backbone interact. energy: -1.693 local terms energy: -445.477144 where: bonds (distance) C4'-P energy: -95.785 bonds (distance) P-C4' energy: -85.144 flat angles C4'-P-C4' energy: -95.208 flat angles P-C4'-P energy: -67.007 tors. eta vs tors. theta energy: -102.333 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: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1440.611743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.611743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.611743 (E_RNA) where: Base-Base interactions energy: -997.152 where: short stacking energy: -401.046 Base-Backbone interact. energy: 1.229 local terms energy: -444.689350 where: bonds (distance) C4'-P energy: -87.708 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -93.912 flat angles P-C4'-P energy: -64.701 tors. eta vs tors. theta energy: -102.038 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: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1385.737999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.737999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.737999 (E_RNA) where: Base-Base interactions energy: -948.414 where: short stacking energy: -421.663 Base-Backbone interact. energy: 1.944 local terms energy: -439.268330 where: bonds (distance) C4'-P energy: -76.671 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -102.361 flat angles P-C4'-P energy: -61.537 tors. eta vs tors. theta energy: -114.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1249.387361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.387361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.387361 (E_RNA) where: Base-Base interactions energy: -831.889 where: short stacking energy: -366.373 Base-Backbone interact. energy: -2.255 local terms energy: -415.243267 where: bonds (distance) C4'-P energy: -84.909 bonds (distance) P-C4' energy: -94.049 flat angles C4'-P-C4' energy: -95.578 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -96.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -994.649255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.649255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.649255 (E_RNA) where: Base-Base interactions energy: -650.920 where: short stacking energy: -292.466 Base-Backbone interact. energy: 1.713 local terms energy: -345.441621 where: bonds (distance) C4'-P energy: -77.420 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -82.018 flat angles P-C4'-P energy: -46.090 tors. eta vs tors. theta energy: -43.882 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: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -863.564066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.564066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.564066 (E_RNA) where: Base-Base interactions energy: -516.381 where: short stacking energy: -273.184 Base-Backbone interact. energy: 2.014 local terms energy: -349.196493 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -86.339 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: -47.314 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: 36 Temperature: 1.250000 Total energy: -822.665531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.665531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.665531 (E_RNA) where: Base-Base interactions energy: -493.409 where: short stacking energy: -252.297 Base-Backbone interact. energy: 1.836 local terms energy: -331.092421 where: bonds (distance) C4'-P energy: -68.032 bonds (distance) P-C4' energy: -87.211 flat angles C4'-P-C4' energy: -93.478 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -40.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -671.709316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.709316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.709316 (E_RNA) where: Base-Base interactions energy: -375.689 where: short stacking energy: -179.164 Base-Backbone interact. energy: -0.160 local terms energy: -295.860785 where: bonds (distance) C4'-P energy: -83.715 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -52.311 tors. eta vs tors. theta energy: -10.368 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -527.269792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.269792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.269792 (E_RNA) where: Base-Base interactions energy: -264.790 where: short stacking energy: -148.836 Base-Backbone interact. energy: -0.568 local terms energy: -261.912051 where: bonds (distance) C4'-P energy: -63.378 bonds (distance) P-C4' energy: -93.879 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -35.898 tors. eta vs tors. theta energy: -9.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1540.966831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.966831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.966831 (E_RNA) where: Base-Base interactions energy: -1045.930 where: short stacking energy: -451.878 Base-Backbone interact. energy: -4.021 local terms energy: -491.015258 where: bonds (distance) C4'-P energy: -92.388 bonds (distance) P-C4' energy: -99.218 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -122.926 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: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1507.422683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.422683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.422683 (E_RNA) where: Base-Base interactions energy: -1046.904 where: short stacking energy: -444.839 Base-Backbone interact. energy: 5.443 local terms energy: -465.961444 where: bonds (distance) C4'-P energy: -93.349 bonds (distance) P-C4' energy: -88.434 flat angles C4'-P-C4' energy: -105.406 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -113.191 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: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1387.474815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.474815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.474815 (E_RNA) where: Base-Base interactions energy: -916.190 where: short stacking energy: -439.242 Base-Backbone interact. energy: -1.865 local terms energy: -469.420230 where: bonds (distance) C4'-P energy: -94.348 bonds (distance) P-C4' energy: -92.695 flat angles C4'-P-C4' energy: -92.822 flat angles P-C4'-P energy: -70.537 tors. eta vs tors. theta energy: -119.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1425.351288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.351288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.351288 (E_RNA) where: Base-Base interactions energy: -940.180 where: short stacking energy: -435.558 Base-Backbone interact. energy: 0.383 local terms energy: -485.553691 where: bonds (distance) C4'-P energy: -86.842 bonds (distance) P-C4' energy: -100.225 flat angles C4'-P-C4' energy: -98.258 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -133.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1233.513714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.513714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.513714 (E_RNA) where: Base-Base interactions energy: -824.289 where: short stacking energy: -363.897 Base-Backbone interact. energy: -3.769 local terms energy: -405.455943 where: bonds (distance) C4'-P energy: -90.082 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -97.269 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -83.024 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: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1020.251386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.251386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.251386 (E_RNA) where: Base-Base interactions energy: -631.652 where: short stacking energy: -275.599 Base-Backbone interact. energy: -2.059 local terms energy: -386.540327 where: bonds (distance) C4'-P energy: -90.081 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -86.766 flat angles P-C4'-P energy: -61.954 tors. eta vs tors. theta energy: -54.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -939.049727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.049727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.049727 (E_RNA) where: Base-Base interactions energy: -572.230 where: short stacking energy: -275.580 Base-Backbone interact. energy: 0.481 local terms energy: -367.300597 where: bonds (distance) C4'-P energy: -92.746 bonds (distance) P-C4' energy: -94.368 flat angles C4'-P-C4' energy: -74.823 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -56.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -819.764798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.764798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.764798 (E_RNA) where: Base-Base interactions energy: -487.197 where: short stacking energy: -248.897 Base-Backbone interact. energy: -2.538 local terms energy: -330.030038 where: bonds (distance) C4'-P energy: -78.378 bonds (distance) P-C4' energy: -75.212 flat angles C4'-P-C4' energy: -60.403 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: -55.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -690.443626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.443626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.443626 (E_RNA) where: Base-Base interactions energy: -384.705 where: short stacking energy: -199.135 Base-Backbone interact. energy: -2.401 local terms energy: -303.337346 where: bonds (distance) C4'-P energy: -74.069 bonds (distance) P-C4' energy: -85.720 flat angles C4'-P-C4' energy: -81.041 flat angles P-C4'-P energy: -43.047 tors. eta vs tors. theta energy: -19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -528.719855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.719855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.719855 (E_RNA) where: Base-Base interactions energy: -258.852 where: short stacking energy: -158.281 Base-Backbone interact. energy: -1.456 local terms energy: -268.412064 where: bonds (distance) C4'-P energy: -56.356 bonds (distance) P-C4' energy: -76.924 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -43.431 tors. eta vs tors. theta energy: -19.817 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: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1532.595660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.595660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.595660 (E_RNA) where: Base-Base interactions energy: -1047.249 where: short stacking energy: -434.999 Base-Backbone interact. energy: -4.327 local terms energy: -481.019453 where: bonds (distance) C4'-P energy: -94.158 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -94.462 flat angles P-C4'-P energy: -80.231 tors. eta vs tors. theta energy: -128.309 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: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1523.797052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.797052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.797052 (E_RNA) where: Base-Base interactions energy: -1053.388 where: short stacking energy: -428.439 Base-Backbone interact. energy: -1.046 local terms energy: -469.363519 where: bonds (distance) C4'-P energy: -83.569 bonds (distance) P-C4' energy: -93.752 flat angles C4'-P-C4' energy: -105.014 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -114.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1383.022267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.022267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.022267 (E_RNA) where: Base-Base interactions energy: -923.611 where: short stacking energy: -405.088 Base-Backbone interact. energy: -2.826 local terms energy: -456.585172 where: bonds (distance) C4'-P energy: -92.360 bonds (distance) P-C4' energy: -97.566 flat angles C4'-P-C4' energy: -102.427 flat angles P-C4'-P energy: -47.944 tors. eta vs tors. theta energy: -116.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1382.310451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.310451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.310451 (E_RNA) where: Base-Base interactions energy: -930.002 where: short stacking energy: -428.909 Base-Backbone interact. energy: -0.338 local terms energy: -451.969947 where: bonds (distance) C4'-P energy: -78.414 bonds (distance) P-C4' energy: -86.181 flat angles C4'-P-C4' energy: -101.311 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -121.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1232.136900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.136900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.136900 (E_RNA) where: Base-Base interactions energy: -834.111 where: short stacking energy: -371.425 Base-Backbone interact. energy: -0.289 local terms energy: -397.736802 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -71.571 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -91.605 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: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -977.702278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.702278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.702278 (E_RNA) where: Base-Base interactions energy: -592.131 where: short stacking energy: -286.163 Base-Backbone interact. energy: -2.174 local terms energy: -383.397574 where: bonds (distance) C4'-P energy: -89.996 bonds (distance) P-C4' energy: -90.312 flat angles C4'-P-C4' energy: -84.132 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -62.555 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: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -926.325668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.325668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.325668 (E_RNA) where: Base-Base interactions energy: -570.650 where: short stacking energy: -259.509 Base-Backbone interact. energy: 0.049 local terms energy: -355.725071 where: bonds (distance) C4'-P energy: -79.497 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -51.257 tors. eta vs tors. theta energy: -51.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -866.839517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.839517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.839517 (E_RNA) where: Base-Base interactions energy: -527.908 where: short stacking energy: -249.931 Base-Backbone interact. energy: 3.529 local terms energy: -342.460013 where: bonds (distance) C4'-P energy: -79.292 bonds (distance) P-C4' energy: -75.074 flat angles C4'-P-C4' energy: -102.230 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -45.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -534.629218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.629218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.629218 (E_RNA) where: Base-Base interactions energy: -252.340 where: short stacking energy: -144.614 Base-Backbone interact. energy: 3.311 local terms energy: -285.600464 where: bonds (distance) C4'-P energy: -80.401 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -80.044 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: 6.897 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: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -544.553860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.553860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.553860 (E_RNA) where: Base-Base interactions energy: -301.349 where: short stacking energy: -162.432 Base-Backbone interact. energy: 4.099 local terms energy: -247.304256 where: bonds (distance) C4'-P energy: -82.079 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -37.207 tors. eta vs tors. theta energy: 6.188 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: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1543.170550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.170550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.170550 (E_RNA) where: Base-Base interactions energy: -1059.030 where: short stacking energy: -447.253 Base-Backbone interact. energy: -1.396 local terms energy: -482.745146 where: bonds (distance) C4'-P energy: -95.536 bonds (distance) P-C4' energy: -96.149 flat angles C4'-P-C4' energy: -104.018 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -121.057 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: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1504.442694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.442694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.442694 (E_RNA) where: Base-Base interactions energy: -1028.475 where: short stacking energy: -411.446 Base-Backbone interact. energy: -2.635 local terms energy: -473.331942 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -96.052 flat angles C4'-P-C4' energy: -104.394 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -110.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1429.295694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.295694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.295694 (E_RNA) where: Base-Base interactions energy: -988.488 where: short stacking energy: -433.452 Base-Backbone interact. energy: 1.823 local terms energy: -442.630289 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -96.774 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -109.661 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: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1388.214552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.214552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.214552 (E_RNA) where: Base-Base interactions energy: -946.841 where: short stacking energy: -422.358 Base-Backbone interact. energy: 0.089 local terms energy: -441.462741 where: bonds (distance) C4'-P energy: -77.712 bonds (distance) P-C4' energy: -89.512 flat angles C4'-P-C4' energy: -104.244 flat angles P-C4'-P energy: -58.036 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: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1230.710715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.710715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.710715 (E_RNA) where: Base-Base interactions energy: -816.634 where: short stacking energy: -365.232 Base-Backbone interact. energy: -2.498 local terms energy: -411.578182 where: bonds (distance) C4'-P energy: -83.408 bonds (distance) P-C4' energy: -90.072 flat angles C4'-P-C4' energy: -94.609 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -93.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1005.410058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.410058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.410058 (E_RNA) where: Base-Base interactions energy: -615.703 where: short stacking energy: -298.440 Base-Backbone interact. energy: -2.899 local terms energy: -386.807640 where: bonds (distance) C4'-P energy: -84.496 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -96.657 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -55.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -948.982997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.982997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.982997 (E_RNA) where: Base-Base interactions energy: -591.708 where: short stacking energy: -272.749 Base-Backbone interact. energy: 0.319 local terms energy: -357.593255 where: bonds (distance) C4'-P energy: -80.495 bonds (distance) P-C4' energy: -90.756 flat angles C4'-P-C4' energy: -81.813 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -48.035 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: 39 Temperature: 1.250000 Total energy: -818.989638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.989638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.989638 (E_RNA) where: Base-Base interactions energy: -456.221 where: short stacking energy: -222.940 Base-Backbone interact. energy: -0.101 local terms energy: -362.667293 where: bonds (distance) C4'-P energy: -80.078 bonds (distance) P-C4' energy: -95.386 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -42.341 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: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -585.723262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.723262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.723262 (E_RNA) where: Base-Base interactions energy: -305.435 where: short stacking energy: -201.934 Base-Backbone interact. energy: 2.587 local terms energy: -282.875129 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -72.716 flat angles C4'-P-C4' energy: -74.644 flat angles P-C4'-P energy: -46.641 tors. eta vs tors. theta energy: -26.226 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: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -552.348905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.348905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.348905 (E_RNA) where: Base-Base interactions energy: -275.177 where: short stacking energy: -159.373 Base-Backbone interact. energy: -1.616 local terms energy: -275.555422 where: bonds (distance) C4'-P energy: -80.257 bonds (distance) P-C4' energy: -79.297 flat angles C4'-P-C4' energy: -72.112 flat angles P-C4'-P energy: -41.590 tors. eta vs tors. theta energy: -2.300 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: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1564.813285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.813285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.813285 (E_RNA) where: Base-Base interactions energy: -1079.307 where: short stacking energy: -440.809 Base-Backbone interact. energy: -3.743 local terms energy: -481.763317 where: bonds (distance) C4'-P energy: -92.722 bonds (distance) P-C4' energy: -99.543 flat angles C4'-P-C4' energy: -105.836 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -113.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1488.717311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.717311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.717311 (E_RNA) where: Base-Base interactions energy: -1000.706 where: short stacking energy: -411.030 Base-Backbone interact. energy: -4.449 local terms energy: -483.562249 where: bonds (distance) C4'-P energy: -94.402 bonds (distance) P-C4' energy: -97.609 flat angles C4'-P-C4' energy: -103.296 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -114.069 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: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1425.388619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.388619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.388619 (E_RNA) where: Base-Base interactions energy: -958.753 where: short stacking energy: -393.753 Base-Backbone interact. energy: -3.160 local terms energy: -463.475654 where: bonds (distance) C4'-P energy: -83.157 bonds (distance) P-C4' energy: -95.757 flat angles C4'-P-C4' energy: -103.041 flat angles P-C4'-P energy: -72.285 tors. eta vs tors. theta energy: -109.235 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: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1408.305167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.305167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.305167 (E_RNA) where: Base-Base interactions energy: -945.856 where: short stacking energy: -396.807 Base-Backbone interact. energy: -0.891 local terms energy: -461.558138 where: bonds (distance) C4'-P energy: -100.914 bonds (distance) P-C4' energy: -85.779 flat angles C4'-P-C4' energy: -97.602 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -112.251 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: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1261.982146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.982146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.982146 (E_RNA) where: Base-Base interactions energy: -836.123 where: short stacking energy: -386.320 Base-Backbone interact. energy: -3.332 local terms energy: -422.526503 where: bonds (distance) C4'-P energy: -78.052 bonds (distance) P-C4' energy: -92.598 flat angles C4'-P-C4' energy: -101.405 flat angles P-C4'-P energy: -57.406 tors. eta vs tors. theta energy: -93.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1104.767930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.767930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.767930 (E_RNA) where: Base-Base interactions energy: -716.764 where: short stacking energy: -319.199 Base-Backbone interact. energy: -1.048 local terms energy: -386.956121 where: bonds (distance) C4'-P energy: -68.601 bonds (distance) P-C4' energy: -95.201 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -83.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -992.993186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.993186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.993186 (E_RNA) where: Base-Base interactions energy: -630.021 where: short stacking energy: -296.271 Base-Backbone interact. energy: -0.595 local terms energy: -362.377167 where: bonds (distance) C4'-P energy: -82.438 bonds (distance) P-C4' energy: -88.829 flat angles C4'-P-C4' energy: -90.923 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -52.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -797.920931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.920931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.920931 (E_RNA) where: Base-Base interactions energy: -458.893 where: short stacking energy: -242.549 Base-Backbone interact. energy: -0.596 local terms energy: -338.431200 where: bonds (distance) C4'-P energy: -71.328 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -49.778 tors. eta vs tors. theta energy: -39.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -604.529276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.529276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.529276 (E_RNA) where: Base-Base interactions energy: -327.398 where: short stacking energy: -177.322 Base-Backbone interact. energy: -2.150 local terms energy: -274.981774 where: bonds (distance) C4'-P energy: -67.333 bonds (distance) P-C4' energy: -72.534 flat angles C4'-P-C4' energy: -69.831 flat angles P-C4'-P energy: -55.398 tors. eta vs tors. theta energy: -9.887 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: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -553.912130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.912130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.912130 (E_RNA) where: Base-Base interactions energy: -295.467 where: short stacking energy: -154.959 Base-Backbone interact. energy: 1.477 local terms energy: -259.922085 where: bonds (distance) C4'-P energy: -71.978 bonds (distance) P-C4' energy: -60.346 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1605.715181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.715181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.715181 (E_RNA) where: Base-Base interactions energy: -1094.547 where: short stacking energy: -438.615 Base-Backbone interact. energy: -3.478 local terms energy: -507.690092 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -96.683 flat angles C4'-P-C4' energy: -108.803 flat angles P-C4'-P energy: -76.832 tors. eta vs tors. theta energy: -121.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1502.516324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.516324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.516324 (E_RNA) where: Base-Base interactions energy: -1044.072 where: short stacking energy: -418.554 Base-Backbone interact. energy: -0.125 local terms energy: -458.319306 where: bonds (distance) C4'-P energy: -89.275 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -71.880 tors. eta vs tors. theta energy: -111.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1379.720361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.720361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.720361 (E_RNA) where: Base-Base interactions energy: -926.565 where: short stacking energy: -424.776 Base-Backbone interact. energy: -3.282 local terms energy: -449.873690 where: bonds (distance) C4'-P energy: -99.729 bonds (distance) P-C4' energy: -87.401 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -97.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1422.723847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.723847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.723847 (E_RNA) where: Base-Base interactions energy: -958.800 where: short stacking energy: -441.214 Base-Backbone interact. energy: -3.982 local terms energy: -459.942243 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -92.237 flat angles C4'-P-C4' energy: -100.474 flat angles P-C4'-P energy: -61.103 tors. eta vs tors. theta energy: -120.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1260.873776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.873776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.873776 (E_RNA) where: Base-Base interactions energy: -854.523 where: short stacking energy: -397.247 Base-Backbone interact. energy: -1.527 local terms energy: -404.824057 where: bonds (distance) C4'-P energy: -78.790 bonds (distance) P-C4' energy: -89.686 flat angles C4'-P-C4' energy: -80.984 flat angles P-C4'-P energy: -59.859 tors. eta vs tors. theta energy: -95.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1171.582786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.582786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.582786 (E_RNA) where: Base-Base interactions energy: -758.163 where: short stacking energy: -348.770 Base-Backbone interact. energy: -2.138 local terms energy: -411.281664 where: bonds (distance) C4'-P energy: -84.338 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -92.528 flat angles P-C4'-P energy: -56.596 tors. eta vs tors. theta energy: -83.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1004.225278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.225278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.225278 (E_RNA) where: Base-Base interactions energy: -653.351 where: short stacking energy: -298.459 Base-Backbone interact. energy: -1.484 local terms energy: -349.389989 where: bonds (distance) C4'-P energy: -69.081 bonds (distance) P-C4' energy: -87.169 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -58.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -769.514661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.514661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.514661 (E_RNA) where: Base-Base interactions energy: -438.506 where: short stacking energy: -253.380 Base-Backbone interact. energy: 1.151 local terms energy: -332.159681 where: bonds (distance) C4'-P energy: -74.573 bonds (distance) P-C4' energy: -95.127 flat angles C4'-P-C4' energy: -83.450 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: -40.092 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: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -558.820114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.820114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.820114 (E_RNA) where: Base-Base interactions energy: -269.544 where: short stacking energy: -182.946 Base-Backbone interact. energy: 0.009 local terms energy: -289.284989 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -84.953 flat angles C4'-P-C4' energy: -71.809 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -534.106295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.106295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.106295 (E_RNA) where: Base-Base interactions energy: -257.250 where: short stacking energy: -151.201 Base-Backbone interact. energy: 2.374 local terms energy: -279.231090 where: bonds (distance) C4'-P energy: -65.467 bonds (distance) P-C4' energy: -86.633 flat angles C4'-P-C4' energy: -67.832 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: -4.446 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: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1601.052884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.052884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.052884 (E_RNA) where: Base-Base interactions energy: -1123.895 where: short stacking energy: -463.227 Base-Backbone interact. energy: -4.356 local terms energy: -472.801369 where: bonds (distance) C4'-P energy: -92.912 bonds (distance) P-C4' energy: -91.362 flat angles C4'-P-C4' energy: -109.882 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -115.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1493.610045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.610045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.610045 (E_RNA) where: Base-Base interactions energy: -1027.195 where: short stacking energy: -417.256 Base-Backbone interact. energy: -0.670 local terms energy: -465.745426 where: bonds (distance) C4'-P energy: -99.563 bonds (distance) P-C4' energy: -90.816 flat angles C4'-P-C4' energy: -100.203 flat angles P-C4'-P energy: -63.565 tors. eta vs tors. theta energy: -111.599 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: 3, replica: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1399.137895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.137895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.137895 (E_RNA) where: Base-Base interactions energy: -934.719 where: short stacking energy: -430.052 Base-Backbone interact. energy: -2.010 local terms energy: -462.408675 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -88.353 flat angles C4'-P-C4' energy: -108.083 flat angles P-C4'-P energy: -74.650 tors. eta vs tors. theta energy: -103.931 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: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1404.599743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.599743 (E_RNA) where: Base-Base interactions energy: -980.789 where: short stacking energy: -428.121 Base-Backbone interact. energy: -1.615 local terms energy: -422.195619 where: bonds (distance) C4'-P energy: -76.068 bonds (distance) P-C4' energy: -89.305 flat angles C4'-P-C4' energy: -85.321 flat angles P-C4'-P energy: -53.683 tors. eta vs tors. theta energy: -117.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1263.353494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.353494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.353494 (E_RNA) where: Base-Base interactions energy: -860.542 where: short stacking energy: -380.269 Base-Backbone interact. energy: -1.814 local terms energy: -400.997317 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -89.794 flat angles C4'-P-C4' energy: -70.801 flat angles P-C4'-P energy: -63.168 tors. eta vs tors. theta energy: -97.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1175.221857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.221857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.221857 (E_RNA) where: Base-Base interactions energy: -778.020 where: short stacking energy: -338.875 Base-Backbone interact. energy: -0.907 local terms energy: -396.294159 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -74.462 flat angles P-C4'-P energy: -64.682 tors. eta vs tors. theta energy: -86.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1014.119549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.119549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.119549 (E_RNA) where: Base-Base interactions energy: -649.955 where: short stacking energy: -322.987 Base-Backbone interact. energy: -2.861 local terms energy: -361.303702 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -78.034 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -77.514 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: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -775.847685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.847685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.847685 (E_RNA) where: Base-Base interactions energy: -433.164 where: short stacking energy: -234.497 Base-Backbone interact. energy: -1.111 local terms energy: -341.572194 where: bonds (distance) C4'-P energy: -91.920 bonds (distance) P-C4' energy: -85.187 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -36.740 tors. eta vs tors. theta energy: -41.484 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: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -589.858080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.858080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.858080 (E_RNA) where: Base-Base interactions energy: -330.153 where: short stacking energy: -193.099 Base-Backbone interact. energy: 0.412 local terms energy: -260.116662 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -88.576 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -1.029 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -565.335515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.335515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.335515 (E_RNA) where: Base-Base interactions energy: -300.336 where: short stacking energy: -187.029 Base-Backbone interact. energy: 0.168 local terms energy: -265.167587 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -78.680 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1586.667979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.667979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.667979 (E_RNA) where: Base-Base interactions energy: -1090.008 where: short stacking energy: -447.865 Base-Backbone interact. energy: -6.208 local terms energy: -490.451992 where: bonds (distance) C4'-P energy: -98.850 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -106.980 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -120.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1503.583587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.583587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.583587 (E_RNA) where: Base-Base interactions energy: -1022.224 where: short stacking energy: -455.567 Base-Backbone interact. energy: 1.476 local terms energy: -482.835511 where: bonds (distance) C4'-P energy: -97.696 bonds (distance) P-C4' energy: -88.657 flat angles C4'-P-C4' energy: -106.116 flat angles P-C4'-P energy: -64.393 tors. eta vs tors. theta energy: -125.974 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: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1377.710421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.710421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.710421 (E_RNA) where: Base-Base interactions energy: -933.422 where: short stacking energy: -400.242 Base-Backbone interact. energy: -2.869 local terms energy: -441.419070 where: bonds (distance) C4'-P energy: -79.790 bonds (distance) P-C4' energy: -105.190 flat angles C4'-P-C4' energy: -93.672 flat angles P-C4'-P energy: -77.456 tors. eta vs tors. theta energy: -85.311 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: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1435.610792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.610792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.610792 (E_RNA) where: Base-Base interactions energy: -981.358 where: short stacking energy: -446.264 Base-Backbone interact. energy: 1.557 local terms energy: -455.809773 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -90.807 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -116.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1265.923294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.923294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.923294 (E_RNA) where: Base-Base interactions energy: -852.907 where: short stacking energy: -372.628 Base-Backbone interact. energy: -0.612 local terms energy: -412.404104 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -97.319 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -92.824 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: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1247.409531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.409531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.409531 (E_RNA) where: Base-Base interactions energy: -835.324 where: short stacking energy: -345.629 Base-Backbone interact. energy: 1.381 local terms energy: -413.466934 where: bonds (distance) C4'-P energy: -81.571 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -100.177 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -86.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -941.007213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.007213 (E_RNA) where: Base-Base interactions energy: -580.028 where: short stacking energy: -258.939 Base-Backbone interact. energy: -4.271 local terms energy: -356.708369 where: bonds (distance) C4'-P energy: -75.943 bonds (distance) P-C4' energy: -85.996 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -54.604 tors. eta vs tors. theta energy: -51.777 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: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -754.850976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.850976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.850976 (E_RNA) where: Base-Base interactions energy: -450.706 where: short stacking energy: -225.754 Base-Backbone interact. energy: -1.558 local terms energy: -302.586721 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -28.324 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: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -616.889641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.889641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.889641 (E_RNA) where: Base-Base interactions energy: -364.337 where: short stacking energy: -194.354 Base-Backbone interact. energy: 1.518 local terms energy: -254.070832 where: bonds (distance) C4'-P energy: -54.755 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -80.939 flat angles P-C4'-P energy: -27.287 tors. eta vs tors. theta energy: -21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -565.171708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.171708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.171708 (E_RNA) where: Base-Base interactions energy: -301.062 where: short stacking energy: -159.938 Base-Backbone interact. energy: -0.921 local terms energy: -263.189052 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -85.156 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1586.379117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.379117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.379117 (E_RNA) where: Base-Base interactions energy: -1101.324 where: short stacking energy: -444.156 Base-Backbone interact. energy: -1.140 local terms energy: -483.915334 where: bonds (distance) C4'-P energy: -104.173 bonds (distance) P-C4' energy: -93.411 flat angles C4'-P-C4' energy: -100.453 flat angles P-C4'-P energy: -68.038 tors. eta vs tors. theta energy: -117.841 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: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1487.797732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.797732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.797732 (E_RNA) where: Base-Base interactions energy: -1027.401 where: short stacking energy: -406.097 Base-Backbone interact. energy: -0.543 local terms energy: -459.853646 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -81.294 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -65.032 tors. eta vs tors. theta energy: -109.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1472.896147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.896147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.896147 (E_RNA) where: Base-Base interactions energy: -1000.611 where: short stacking energy: -435.966 Base-Backbone interact. energy: 2.928 local terms energy: -475.213089 where: bonds (distance) C4'-P energy: -89.288 bonds (distance) P-C4' energy: -97.258 flat angles C4'-P-C4' energy: -97.913 flat angles P-C4'-P energy: -70.384 tors. eta vs tors. theta energy: -120.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1421.758051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.758051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.758051 (E_RNA) where: Base-Base interactions energy: -970.557 where: short stacking energy: -415.694 Base-Backbone interact. energy: -2.189 local terms energy: -449.011951 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -100.271 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: -106.592 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: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1228.749291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.749291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.749291 (E_RNA) where: Base-Base interactions energy: -810.863 where: short stacking energy: -366.973 Base-Backbone interact. energy: -1.594 local terms energy: -416.292424 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -85.477 flat angles C4'-P-C4' energy: -100.835 flat angles P-C4'-P energy: -61.210 tors. eta vs tors. theta energy: -87.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1227.860924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.860924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.860924 (E_RNA) where: Base-Base interactions energy: -839.137 where: short stacking energy: -352.656 Base-Backbone interact. energy: -2.034 local terms energy: -386.689642 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -93.770 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -80.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -894.556072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.556072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.556072 (E_RNA) where: Base-Base interactions energy: -539.389 where: short stacking energy: -259.886 Base-Backbone interact. energy: -0.212 local terms energy: -354.955007 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -85.785 flat angles C4'-P-C4' energy: -84.729 flat angles P-C4'-P energy: -60.242 tors. eta vs tors. theta energy: -48.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -752.762999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.762999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.762999 (E_RNA) where: Base-Base interactions energy: -438.613 where: short stacking energy: -219.645 Base-Backbone interact. energy: -1.061 local terms energy: -313.088392 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -91.914 flat angles C4'-P-C4' energy: -59.357 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -31.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -773.719109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.719109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.719109 (E_RNA) where: Base-Base interactions energy: -478.974 where: short stacking energy: -229.289 Base-Backbone interact. energy: -1.408 local terms energy: -293.337131 where: bonds (distance) C4'-P energy: -83.705 bonds (distance) P-C4' energy: -68.857 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -27.702 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: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -582.605542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.605542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.605542 (E_RNA) where: Base-Base interactions energy: -315.786 where: short stacking energy: -192.960 Base-Backbone interact. energy: 2.456 local terms energy: -269.275076 where: bonds (distance) C4'-P energy: -66.120 bonds (distance) P-C4' energy: -67.256 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -10.874 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: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1580.453938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.453938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.453938 (E_RNA) where: Base-Base interactions energy: -1098.722 where: short stacking energy: -448.709 Base-Backbone interact. energy: -6.286 local terms energy: -475.446010 where: bonds (distance) C4'-P energy: -84.646 bonds (distance) P-C4' energy: -99.263 flat angles C4'-P-C4' energy: -106.514 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -113.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1476.861958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.861958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.861958 (E_RNA) where: Base-Base interactions energy: -1020.738 where: short stacking energy: -433.248 Base-Backbone interact. energy: -1.900 local terms energy: -454.223732 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -78.467 flat angles C4'-P-C4' energy: -104.274 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -116.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1476.611203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.611203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.611203 (E_RNA) where: Base-Base interactions energy: -1012.815 where: short stacking energy: -441.849 Base-Backbone interact. energy: 0.342 local terms energy: -464.137746 where: bonds (distance) C4'-P energy: -75.546 bonds (distance) P-C4' energy: -93.450 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -66.926 tors. eta vs tors. theta energy: -122.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1363.677365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.677365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.677365 (E_RNA) where: Base-Base interactions energy: -944.989 where: short stacking energy: -406.449 Base-Backbone interact. energy: -2.275 local terms energy: -416.413014 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -73.188 flat angles C4'-P-C4' energy: -92.623 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: -100.686 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: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1239.214014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.214014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.214014 (E_RNA) where: Base-Base interactions energy: -818.017 where: short stacking energy: -385.427 Base-Backbone interact. energy: -3.059 local terms energy: -418.137631 where: bonds (distance) C4'-P energy: -85.077 bonds (distance) P-C4' energy: -85.536 flat angles C4'-P-C4' energy: -93.351 flat angles P-C4'-P energy: -57.669 tors. eta vs tors. theta energy: -96.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1251.006663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.006663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.006663 (E_RNA) where: Base-Base interactions energy: -847.450 where: short stacking energy: -367.330 Base-Backbone interact. energy: -0.166 local terms energy: -403.391280 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -77.013 flat angles C4'-P-C4' energy: -84.454 flat angles P-C4'-P energy: -66.880 tors. eta vs tors. theta energy: -88.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -878.959810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.959810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.959810 (E_RNA) where: Base-Base interactions energy: -557.636 where: short stacking energy: -286.787 Base-Backbone interact. energy: -0.586 local terms energy: -320.737695 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -66.679 flat angles C4'-P-C4' energy: -79.128 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -49.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -879.729487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.729487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.729487 (E_RNA) where: Base-Base interactions energy: -556.845 where: short stacking energy: -279.251 Base-Backbone interact. energy: 0.058 local terms energy: -322.942293 where: bonds (distance) C4'-P energy: -70.003 bonds (distance) P-C4' energy: -81.615 flat angles C4'-P-C4' energy: -78.689 flat angles P-C4'-P energy: -39.825 tors. eta vs tors. theta energy: -52.810 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: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -722.673570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.673570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.673570 (E_RNA) where: Base-Base interactions energy: -416.845 where: short stacking energy: -205.807 Base-Backbone interact. energy: 2.475 local terms energy: -308.303054 where: bonds (distance) C4'-P energy: -82.091 bonds (distance) P-C4' energy: -73.841 flat angles C4'-P-C4' energy: -79.202 flat angles P-C4'-P energy: -52.404 tors. eta vs tors. theta energy: -20.766 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: 45 Temperature: 1.350000 Total energy: -546.834675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.834675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.834675 (E_RNA) where: Base-Base interactions energy: -275.513 where: short stacking energy: -164.158 Base-Backbone interact. energy: 6.248 local terms energy: -277.569884 where: bonds (distance) C4'-P energy: -79.600 bonds (distance) P-C4' energy: -66.962 flat angles C4'-P-C4' energy: -76.022 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -4.960 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: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1564.695736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.695736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.695736 (E_RNA) where: Base-Base interactions energy: -1077.215 where: short stacking energy: -467.886 Base-Backbone interact. energy: -3.113 local terms energy: -484.368018 where: bonds (distance) C4'-P energy: -93.657 bonds (distance) P-C4' energy: -91.499 flat angles C4'-P-C4' energy: -104.105 flat angles P-C4'-P energy: -74.088 tors. eta vs tors. theta energy: -121.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1489.876709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.876709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.876709 (E_RNA) where: Base-Base interactions energy: -1025.494 where: short stacking energy: -421.401 Base-Backbone interact. energy: -2.539 local terms energy: -461.843932 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -106.801 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: -116.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1456.952901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.952901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.952901 (E_RNA) where: Base-Base interactions energy: -988.061 where: short stacking energy: -429.972 Base-Backbone interact. energy: -2.684 local terms energy: -466.208533 where: bonds (distance) C4'-P energy: -99.986 bonds (distance) P-C4' energy: -92.322 flat angles C4'-P-C4' energy: -102.784 flat angles P-C4'-P energy: -55.023 tors. eta vs tors. theta energy: -116.093 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1290.832524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.832524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.832524 (E_RNA) where: Base-Base interactions energy: -881.143 where: short stacking energy: -356.720 Base-Backbone interact. energy: 5.499 local terms energy: -415.188361 where: bonds (distance) C4'-P energy: -78.927 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -50.695 tors. eta vs tors. theta energy: -75.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1239.852371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.852371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.852371 (E_RNA) where: Base-Base interactions energy: -861.853 where: short stacking energy: -359.209 Base-Backbone interact. energy: 6.292 local terms energy: -384.291314 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -84.090 flat angles C4'-P-C4' energy: -87.026 flat angles P-C4'-P energy: -52.445 tors. eta vs tors. theta energy: -88.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1226.524498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.524498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.524498 (E_RNA) where: Base-Base interactions energy: -816.575 where: short stacking energy: -359.461 Base-Backbone interact. energy: -0.108 local terms energy: -409.841758 where: bonds (distance) C4'-P energy: -91.016 bonds (distance) P-C4' energy: -89.559 flat angles C4'-P-C4' energy: -89.098 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -79.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -839.047097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.047097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.047097 (E_RNA) where: Base-Base interactions energy: -495.874 where: short stacking energy: -258.920 Base-Backbone interact. energy: -1.697 local terms energy: -341.475671 where: bonds (distance) C4'-P energy: -74.320 bonds (distance) P-C4' energy: -85.706 flat angles C4'-P-C4' energy: -85.556 flat angles P-C4'-P energy: -52.757 tors. eta vs tors. theta energy: -43.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -806.659199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.659199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.659199 (E_RNA) where: Base-Base interactions energy: -487.616 where: short stacking energy: -263.906 Base-Backbone interact. energy: 0.951 local terms energy: -319.993952 where: bonds (distance) C4'-P energy: -83.947 bonds (distance) P-C4' energy: -87.348 flat angles C4'-P-C4' energy: -67.115 flat angles P-C4'-P energy: -42.939 tors. eta vs tors. theta energy: -38.645 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: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -798.349468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.349468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.349468 (E_RNA) where: Base-Base interactions energy: -467.046 where: short stacking energy: -225.555 Base-Backbone interact. energy: -2.102 local terms energy: -329.201214 where: bonds (distance) C4'-P energy: -72.749 bonds (distance) P-C4' energy: -93.742 flat angles C4'-P-C4' energy: -71.261 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -48.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -578.505565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.505565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.505565 (E_RNA) where: Base-Base interactions energy: -305.328 where: short stacking energy: -162.980 Base-Backbone interact. energy: 0.479 local terms energy: -273.657058 where: bonds (distance) C4'-P energy: -79.348 bonds (distance) P-C4' energy: -75.272 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -42.890 tors. eta vs tors. theta energy: -7.431 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: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1580.331015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.331015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.331015 (E_RNA) where: Base-Base interactions energy: -1082.512 where: short stacking energy: -449.499 Base-Backbone interact. energy: -5.184 local terms energy: -492.635580 where: bonds (distance) C4'-P energy: -97.536 bonds (distance) P-C4' energy: -101.621 flat angles C4'-P-C4' energy: -110.294 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -121.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1504.645388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.645388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.645388 (E_RNA) where: Base-Base interactions energy: -1030.626 where: short stacking energy: -454.236 Base-Backbone interact. energy: -0.413 local terms energy: -473.606460 where: bonds (distance) C4'-P energy: -76.427 bonds (distance) P-C4' energy: -98.327 flat angles C4'-P-C4' energy: -106.012 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -127.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1409.388691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.388691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.388691 (E_RNA) where: Base-Base interactions energy: -934.244 where: short stacking energy: -422.912 Base-Backbone interact. energy: -1.532 local terms energy: -473.612777 where: bonds (distance) C4'-P energy: -94.934 bonds (distance) P-C4' energy: -93.191 flat angles C4'-P-C4' energy: -101.874 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -115.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1368.780259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.780259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.780259 (E_RNA) where: Base-Base interactions energy: -950.040 where: short stacking energy: -421.590 Base-Backbone interact. energy: -3.473 local terms energy: -415.268200 where: bonds (distance) C4'-P energy: -76.390 bonds (distance) P-C4' energy: -91.516 flat angles C4'-P-C4' energy: -90.242 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -100.726 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1246.781243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.781243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.781243 (E_RNA) where: Base-Base interactions energy: -840.185 where: short stacking energy: -352.352 Base-Backbone interact. energy: -1.425 local terms energy: -405.171264 where: bonds (distance) C4'-P energy: -90.727 bonds (distance) P-C4' energy: -100.859 flat angles C4'-P-C4' energy: -93.110 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -76.207 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: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1198.551940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.551940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.551940 (E_RNA) where: Base-Base interactions energy: -830.033 where: short stacking energy: -355.100 Base-Backbone interact. energy: -0.463 local terms energy: -368.055264 where: bonds (distance) C4'-P energy: -65.035 bonds (distance) P-C4' energy: -80.403 flat angles C4'-P-C4' energy: -85.664 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -83.348 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: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -869.320677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.320677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.320677 (E_RNA) where: Base-Base interactions energy: -528.786 where: short stacking energy: -242.379 Base-Backbone interact. energy: 1.552 local terms energy: -342.087295 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -90.705 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -40.892 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: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -813.401095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.401095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.401095 (E_RNA) where: Base-Base interactions energy: -496.555 where: short stacking energy: -238.752 Base-Backbone interact. energy: -1.849 local terms energy: -314.997289 where: bonds (distance) C4'-P energy: -75.938 bonds (distance) P-C4' energy: -81.892 flat angles C4'-P-C4' energy: -74.514 flat angles P-C4'-P energy: -46.619 tors. eta vs tors. theta energy: -36.035 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: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -780.343183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.343183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.343183 (E_RNA) where: Base-Base interactions energy: -479.279 where: short stacking energy: -236.168 Base-Backbone interact. energy: -1.716 local terms energy: -299.347846 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -55.955 flat angles C4'-P-C4' energy: -90.039 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -32.402 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: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -579.624221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.624221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.624221 (E_RNA) where: Base-Base interactions energy: -290.593 where: short stacking energy: -143.716 Base-Backbone interact. energy: 0.851 local terms energy: -289.882366 where: bonds (distance) C4'-P energy: -85.451 bonds (distance) P-C4' energy: -79.389 flat angles C4'-P-C4' energy: -69.679 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -4.234 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1572.920027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.920027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.920027 (E_RNA) where: Base-Base interactions energy: -1084.698 where: short stacking energy: -439.315 Base-Backbone interact. energy: -1.150 local terms energy: -487.071708 where: bonds (distance) C4'-P energy: -96.656 bonds (distance) P-C4' energy: -103.673 flat angles C4'-P-C4' energy: -98.117 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -123.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1518.562366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.562366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.562366 (E_RNA) where: Base-Base interactions energy: -1032.215 where: short stacking energy: -443.493 Base-Backbone interact. energy: -1.069 local terms energy: -485.278640 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -88.294 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -120.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1457.127931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.127931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.127931 (E_RNA) where: Base-Base interactions energy: -978.251 where: short stacking energy: -438.871 Base-Backbone interact. energy: -4.168 local terms energy: -474.708766 where: bonds (distance) C4'-P energy: -91.558 bonds (distance) P-C4' energy: -89.068 flat angles C4'-P-C4' energy: -105.899 flat angles P-C4'-P energy: -68.755 tors. eta vs tors. theta energy: -119.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1344.069335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.069335 (E_RNA) where: Base-Base interactions energy: -901.319 where: short stacking energy: -372.049 Base-Backbone interact. energy: -1.082 local terms energy: -441.669063 where: bonds (distance) C4'-P energy: -95.133 bonds (distance) P-C4' energy: -91.705 flat angles C4'-P-C4' energy: -105.492 flat angles P-C4'-P energy: -50.802 tors. eta vs tors. theta energy: -98.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1245.624187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.624187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.624187 (E_RNA) where: Base-Base interactions energy: -810.293 where: short stacking energy: -351.027 Base-Backbone interact. energy: -3.255 local terms energy: -432.076482 where: bonds (distance) C4'-P energy: -80.338 bonds (distance) P-C4' energy: -90.902 flat angles C4'-P-C4' energy: -102.843 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: -93.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1194.170807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.170807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.170807 (E_RNA) where: Base-Base interactions energy: -793.077 where: short stacking energy: -369.832 Base-Backbone interact. energy: -1.114 local terms energy: -399.979063 where: bonds (distance) C4'-P energy: -75.093 bonds (distance) P-C4' energy: -83.767 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -81.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -855.136595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.136595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.136595 (E_RNA) where: Base-Base interactions energy: -540.771 where: short stacking energy: -262.111 Base-Backbone interact. energy: -1.749 local terms energy: -312.617254 where: bonds (distance) C4'-P energy: -73.368 bonds (distance) P-C4' energy: -72.653 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -47.737 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: 48 Temperature: 1.250000 Total energy: -800.145380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.145380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.145380 (E_RNA) where: Base-Base interactions energy: -443.237 where: short stacking energy: -224.937 Base-Backbone interact. energy: -1.174 local terms energy: -355.733529 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -82.429 flat angles P-C4'-P energy: -54.626 tors. eta vs tors. theta energy: -34.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -711.084015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.084015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.084015 (E_RNA) where: Base-Base interactions energy: -430.977 where: short stacking energy: -200.854 Base-Backbone interact. energy: -0.354 local terms energy: -279.753127 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -71.908 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -10.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -567.158700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.158700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.158700 (E_RNA) where: Base-Base interactions energy: -289.174 where: short stacking energy: -171.915 Base-Backbone interact. energy: 0.810 local terms energy: -278.793857 where: bonds (distance) C4'-P energy: -82.401 bonds (distance) P-C4' energy: -73.299 flat angles C4'-P-C4' energy: -71.464 flat angles P-C4'-P energy: -30.205 tors. eta vs tors. theta energy: -21.425 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: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1581.644975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.644975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.644975 (E_RNA) where: Base-Base interactions energy: -1079.382 where: short stacking energy: -465.112 Base-Backbone interact. energy: -1.312 local terms energy: -500.950707 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -107.239 flat angles C4'-P-C4' energy: -106.583 flat angles P-C4'-P energy: -73.481 tors. eta vs tors. theta energy: -128.118 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1502.856060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.856060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.856060 (E_RNA) where: Base-Base interactions energy: -1011.130 where: short stacking energy: -456.440 Base-Backbone interact. energy: -4.193 local terms energy: -487.532996 where: bonds (distance) C4'-P energy: -91.194 bonds (distance) P-C4' energy: -93.866 flat angles C4'-P-C4' energy: -103.454 flat angles P-C4'-P energy: -71.200 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: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1479.119262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.119262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.119262 (E_RNA) where: Base-Base interactions energy: -1028.991 where: short stacking energy: -461.749 Base-Backbone interact. energy: -0.731 local terms energy: -449.397558 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -103.399 flat angles P-C4'-P energy: -59.254 tors. eta vs tors. theta energy: -120.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1393.680763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.680763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.680763 (E_RNA) where: Base-Base interactions energy: -936.452 where: short stacking energy: -402.500 Base-Backbone interact. energy: 0.795 local terms energy: -458.024050 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -63.425 tors. eta vs tors. theta energy: -103.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1297.087253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.087253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.087253 (E_RNA) where: Base-Base interactions energy: -867.998 where: short stacking energy: -366.663 Base-Backbone interact. energy: -1.706 local terms energy: -427.383789 where: bonds (distance) C4'-P energy: -85.942 bonds (distance) P-C4' energy: -96.596 flat angles C4'-P-C4' energy: -89.562 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -95.459 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: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1193.404495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.404495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.404495 (E_RNA) where: Base-Base interactions energy: -777.520 where: short stacking energy: -366.023 Base-Backbone interact. energy: 1.153 local terms energy: -417.036742 where: bonds (distance) C4'-P energy: -92.240 bonds (distance) P-C4' energy: -94.153 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -64.051 tors. eta vs tors. theta energy: -87.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -828.765877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.765877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.765877 (E_RNA) where: Base-Base interactions energy: -500.688 where: short stacking energy: -248.144 Base-Backbone interact. energy: -1.145 local terms energy: -326.933088 where: bonds (distance) C4'-P energy: -79.130 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -72.047 flat angles P-C4'-P energy: -66.692 tors. eta vs tors. theta energy: -36.459 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: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -827.781164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.781164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.781164 (E_RNA) where: Base-Base interactions energy: -527.272 where: short stacking energy: -248.977 Base-Backbone interact. energy: -2.543 local terms energy: -297.965953 where: bonds (distance) C4'-P energy: -70.287 bonds (distance) P-C4' energy: -76.007 flat angles C4'-P-C4' energy: -66.143 flat angles P-C4'-P energy: -41.680 tors. eta vs tors. theta energy: -43.849 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: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -706.408119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.408119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.408119 (E_RNA) where: Base-Base interactions energy: -423.424 where: short stacking energy: -183.481 Base-Backbone interact. energy: -1.991 local terms energy: -280.993702 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -91.712 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -523.341313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.341313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.341313 (E_RNA) where: Base-Base interactions energy: -271.943 where: short stacking energy: -146.723 Base-Backbone interact. energy: 2.782 local terms energy: -254.180181 where: bonds (distance) C4'-P energy: -61.780 bonds (distance) P-C4' energy: -74.112 flat angles C4'-P-C4' energy: -69.329 flat angles P-C4'-P energy: -47.115 tors. eta vs tors. theta energy: -1.844 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: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1578.651453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.651453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.651453 (E_RNA) where: Base-Base interactions energy: -1097.771 where: short stacking energy: -454.578 Base-Backbone interact. energy: -1.709 local terms energy: -479.171554 where: bonds (distance) C4'-P energy: -96.485 bonds (distance) P-C4' energy: -93.459 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -122.342 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: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1489.083467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.083467 (E_RNA) where: Base-Base interactions energy: -1048.933 where: short stacking energy: -455.031 Base-Backbone interact. energy: -6.005 local terms energy: -434.145492 where: bonds (distance) C4'-P energy: -74.660 bonds (distance) P-C4' energy: -82.854 flat angles C4'-P-C4' energy: -95.157 flat angles P-C4'-P energy: -58.083 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: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1514.555065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.555065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.555065 (E_RNA) where: Base-Base interactions energy: -1020.724 where: short stacking energy: -445.223 Base-Backbone interact. energy: 0.357 local terms energy: -494.188827 where: bonds (distance) C4'-P energy: -82.128 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -126.463 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: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1347.940311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.940311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.940311 (E_RNA) where: Base-Base interactions energy: -916.981 where: short stacking energy: -393.093 Base-Backbone interact. energy: -0.854 local terms energy: -430.105598 where: bonds (distance) C4'-P energy: -81.763 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -90.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1232.563780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.563780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.563780 (E_RNA) where: Base-Base interactions energy: -819.583 where: short stacking energy: -360.566 Base-Backbone interact. energy: -0.960 local terms energy: -412.021101 where: bonds (distance) C4'-P energy: -83.292 bonds (distance) P-C4' energy: -75.457 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -92.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1210.961667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.961667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.961667 (E_RNA) where: Base-Base interactions energy: -808.098 where: short stacking energy: -367.518 Base-Backbone interact. energy: -3.607 local terms energy: -399.257116 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -80.149 flat angles C4'-P-C4' energy: -102.632 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -89.643 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: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -887.913923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.913923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.913923 (E_RNA) where: Base-Base interactions energy: -533.826 where: short stacking energy: -261.256 Base-Backbone interact. energy: -0.727 local terms energy: -353.360942 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -82.201 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -46.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -766.814469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.814469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.814469 (E_RNA) where: Base-Base interactions energy: -439.946 where: short stacking energy: -213.768 Base-Backbone interact. energy: 0.504 local terms energy: -327.372020 where: bonds (distance) C4'-P energy: -72.322 bonds (distance) P-C4' energy: -84.013 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -36.465 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: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -821.653683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.653683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.653683 (E_RNA) where: Base-Base interactions energy: -516.236 where: short stacking energy: -241.827 Base-Backbone interact. energy: 6.460 local terms energy: -311.877874 where: bonds (distance) C4'-P energy: -82.576 bonds (distance) P-C4' energy: -75.094 flat angles C4'-P-C4' energy: -72.555 flat angles P-C4'-P energy: -43.417 tors. eta vs tors. theta energy: -38.236 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: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -534.507916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.507916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.507916 (E_RNA) where: Base-Base interactions energy: -296.061 where: short stacking energy: -174.970 Base-Backbone interact. energy: 3.615 local terms energy: -242.062174 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -76.338 flat angles C4'-P-C4' energy: -67.110 flat angles P-C4'-P energy: -26.315 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1587.213703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.213703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.213703 (E_RNA) where: Base-Base interactions energy: -1084.526 where: short stacking energy: -455.905 Base-Backbone interact. energy: -6.940 local terms energy: -495.747819 where: bonds (distance) C4'-P energy: -89.743 bonds (distance) P-C4' energy: -100.784 flat angles C4'-P-C4' energy: -104.069 flat angles P-C4'-P energy: -78.821 tors. eta vs tors. theta energy: -122.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1496.264144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.264144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.264144 (E_RNA) where: Base-Base interactions energy: -996.439 where: short stacking energy: -441.168 Base-Backbone interact. energy: -4.276 local terms energy: -495.549028 where: bonds (distance) C4'-P energy: -100.564 bonds (distance) P-C4' energy: -98.131 flat angles C4'-P-C4' energy: -104.540 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -124.187 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: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1488.342736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.342736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.342736 (E_RNA) where: Base-Base interactions energy: -1021.595 where: short stacking energy: -443.731 Base-Backbone interact. energy: -0.856 local terms energy: -465.891228 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -96.632 flat angles C4'-P-C4' energy: -105.105 flat angles P-C4'-P energy: -58.627 tors. eta vs tors. theta energy: -123.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1330.966612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.966612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.966612 (E_RNA) where: Base-Base interactions energy: -912.442 where: short stacking energy: -386.160 Base-Backbone interact. energy: -0.138 local terms energy: -418.385724 where: bonds (distance) C4'-P energy: -82.887 bonds (distance) P-C4' energy: -92.531 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -53.512 tors. eta vs tors. theta energy: -95.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1231.572825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.572825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.572825 (E_RNA) where: Base-Base interactions energy: -797.041 where: short stacking energy: -359.342 Base-Backbone interact. energy: -2.708 local terms energy: -431.824430 where: bonds (distance) C4'-P energy: -96.309 bonds (distance) P-C4' energy: -78.892 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -71.526 tors. eta vs tors. theta energy: -87.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1206.916827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.916827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.916827 (E_RNA) where: Base-Base interactions energy: -807.336 where: short stacking energy: -332.487 Base-Backbone interact. energy: 0.292 local terms energy: -399.872542 where: bonds (distance) C4'-P energy: -82.497 bonds (distance) P-C4' energy: -85.493 flat angles C4'-P-C4' energy: -98.130 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -82.304 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: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -890.926359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.926359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.926359 (E_RNA) where: Base-Base interactions energy: -556.077 where: short stacking energy: -264.457 Base-Backbone interact. energy: -0.855 local terms energy: -333.993909 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -78.437 flat angles C4'-P-C4' energy: -78.694 flat angles P-C4'-P energy: -47.615 tors. eta vs tors. theta energy: -46.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -801.266296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.266296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.266296 (E_RNA) where: Base-Base interactions energy: -478.393 where: short stacking energy: -242.885 Base-Backbone interact. energy: -2.654 local terms energy: -320.219723 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -81.218 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -54.813 tors. eta vs tors. theta energy: -21.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -806.643584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.643584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.643584 (E_RNA) where: Base-Base interactions energy: -492.079 where: short stacking energy: -243.513 Base-Backbone interact. energy: 0.655 local terms energy: -315.220041 where: bonds (distance) C4'-P energy: -93.731 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -83.641 flat angles P-C4'-P energy: -40.957 tors. eta vs tors. theta energy: -29.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -527.549396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.549396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.549396 (E_RNA) where: Base-Base interactions energy: -266.899 where: short stacking energy: -142.119 Base-Backbone interact. energy: -0.574 local terms energy: -260.077059 where: bonds (distance) C4'-P energy: -77.350 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -57.002 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: 12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1598.772050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.772050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.772050 (E_RNA) where: Base-Base interactions energy: -1098.954 where: short stacking energy: -441.817 Base-Backbone interact. energy: -7.739 local terms energy: -492.079289 where: bonds (distance) C4'-P energy: -82.867 bonds (distance) P-C4' energy: -98.986 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -127.926 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: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1483.469250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.469250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.469250 (E_RNA) where: Base-Base interactions energy: -1025.603 where: short stacking energy: -425.419 Base-Backbone interact. energy: -3.109 local terms energy: -454.757281 where: bonds (distance) C4'-P energy: -91.097 bonds (distance) P-C4' energy: -83.159 flat angles C4'-P-C4' energy: -98.962 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -122.137 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1520.177105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.177105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.177105 (E_RNA) where: Base-Base interactions energy: -1038.402 where: short stacking energy: -443.348 Base-Backbone interact. energy: -1.862 local terms energy: -479.913728 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -104.897 flat angles P-C4'-P energy: -61.842 tors. eta vs tors. theta energy: -122.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1355.515394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.515394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.515394 (E_RNA) where: Base-Base interactions energy: -905.204 where: short stacking energy: -377.339 Base-Backbone interact. energy: -1.156 local terms energy: -449.155439 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -95.285 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -74.147 tors. eta vs tors. theta energy: -98.982 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: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1222.942142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.942142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.942142 (E_RNA) where: Base-Base interactions energy: -808.502 where: short stacking energy: -374.176 Base-Backbone interact. energy: -0.901 local terms energy: -413.538953 where: bonds (distance) C4'-P energy: -66.331 bonds (distance) P-C4' energy: -84.028 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -97.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1174.757229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.757229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.757229 (E_RNA) where: Base-Base interactions energy: -771.623 where: short stacking energy: -361.793 Base-Backbone interact. energy: -2.197 local terms energy: -400.937918 where: bonds (distance) C4'-P energy: -78.115 bonds (distance) P-C4' energy: -81.669 flat angles C4'-P-C4' energy: -89.180 flat angles P-C4'-P energy: -61.120 tors. eta vs tors. theta energy: -90.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -937.495095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.495095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.495095 (E_RNA) where: Base-Base interactions energy: -588.211 where: short stacking energy: -265.706 Base-Backbone interact. energy: -3.961 local terms energy: -345.323428 where: bonds (distance) C4'-P energy: -69.938 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -97.676 flat angles P-C4'-P energy: -48.384 tors. eta vs tors. theta energy: -42.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -861.987896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.987896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.987896 (E_RNA) where: Base-Base interactions energy: -529.729 where: short stacking energy: -271.296 Base-Backbone interact. energy: -1.999 local terms energy: -330.259834 where: bonds (distance) C4'-P energy: -75.021 bonds (distance) P-C4' energy: -88.598 flat angles C4'-P-C4' energy: -83.037 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: -48.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -751.394772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.394772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.394772 (E_RNA) where: Base-Base interactions energy: -446.275 where: short stacking energy: -229.819 Base-Backbone interact. energy: -1.675 local terms energy: -303.444557 where: bonds (distance) C4'-P energy: -79.496 bonds (distance) P-C4' energy: -82.128 flat angles C4'-P-C4' energy: -83.709 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -523.382640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.382640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.382640 (E_RNA) where: Base-Base interactions energy: -263.908 where: short stacking energy: -145.650 Base-Backbone interact. energy: -0.502 local terms energy: -258.973475 where: bonds (distance) C4'-P energy: -71.089 bonds (distance) P-C4' energy: -65.468 flat angles C4'-P-C4' energy: -65.814 flat angles P-C4'-P energy: -59.106 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: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1588.715563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.715563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.715563 (E_RNA) where: Base-Base interactions energy: -1088.054 where: short stacking energy: -452.175 Base-Backbone interact. energy: -4.573 local terms energy: -496.087955 where: bonds (distance) C4'-P energy: -99.283 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -71.404 tors. eta vs tors. theta energy: -125.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1549.559819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.559819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.559819 (E_RNA) where: Base-Base interactions energy: -1069.573 where: short stacking energy: -452.289 Base-Backbone interact. energy: -1.156 local terms energy: -478.831059 where: bonds (distance) C4'-P energy: -79.332 bonds (distance) P-C4' energy: -107.471 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -63.076 tors. eta vs tors. theta energy: -129.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1440.876925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.876925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.876925 (E_RNA) where: Base-Base interactions energy: -975.084 where: short stacking energy: -411.977 Base-Backbone interact. energy: -1.865 local terms energy: -463.927750 where: bonds (distance) C4'-P energy: -95.419 bonds (distance) P-C4' energy: -88.391 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -60.097 tors. eta vs tors. theta energy: -115.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1380.425821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.425821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.425821 (E_RNA) where: Base-Base interactions energy: -956.014 where: short stacking energy: -416.811 Base-Backbone interact. energy: -1.154 local terms energy: -423.257219 where: bonds (distance) C4'-P energy: -85.920 bonds (distance) P-C4' energy: -92.998 flat angles C4'-P-C4' energy: -95.174 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -98.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1269.669806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.669806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.669806 (E_RNA) where: Base-Base interactions energy: -829.121 where: short stacking energy: -385.071 Base-Backbone interact. energy: -1.034 local terms energy: -439.514839 where: bonds (distance) C4'-P energy: -91.050 bonds (distance) P-C4' energy: -94.920 flat angles C4'-P-C4' energy: -98.370 flat angles P-C4'-P energy: -53.903 tors. eta vs tors. theta energy: -101.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1190.195897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.195897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.195897 (E_RNA) where: Base-Base interactions energy: -794.253 where: short stacking energy: -366.826 Base-Backbone interact. energy: -2.799 local terms energy: -393.143980 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -79.238 flat angles C4'-P-C4' energy: -92.211 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -88.137 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: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -933.211700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.211700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.211700 (E_RNA) where: Base-Base interactions energy: -587.489 where: short stacking energy: -276.711 Base-Backbone interact. energy: 0.803 local terms energy: -346.525574 where: bonds (distance) C4'-P energy: -70.205 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -37.866 tors. eta vs tors. theta energy: -63.678 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -879.660174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.660174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.660174 (E_RNA) where: Base-Base interactions energy: -553.191 where: short stacking energy: -279.842 Base-Backbone interact. energy: 0.074 local terms energy: -326.543115 where: bonds (distance) C4'-P energy: -76.072 bonds (distance) P-C4' energy: -81.123 flat angles C4'-P-C4' energy: -72.758 flat angles P-C4'-P energy: -59.539 tors. eta vs tors. theta energy: -37.052 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: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -724.844043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.844043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.844043 (E_RNA) where: Base-Base interactions energy: -428.860 where: short stacking energy: -225.074 Base-Backbone interact. energy: -3.918 local terms energy: -292.065939 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -80.916 flat angles C4'-P-C4' energy: -74.545 flat angles P-C4'-P energy: -50.914 tors. eta vs tors. theta energy: -21.514 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: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -562.020520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.020520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.020520 (E_RNA) where: Base-Base interactions energy: -312.933 where: short stacking energy: -180.068 Base-Backbone interact. energy: -1.242 local terms energy: -247.845048 where: bonds (distance) C4'-P energy: -74.430 bonds (distance) P-C4' energy: -79.302 flat angles C4'-P-C4' energy: -55.180 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1600.452276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.452276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.452276 (E_RNA) where: Base-Base interactions energy: -1105.861 where: short stacking energy: -472.802 Base-Backbone interact. energy: 0.206 local terms energy: -494.798016 where: bonds (distance) C4'-P energy: -98.370 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -108.016 flat angles P-C4'-P energy: -66.847 tors. eta vs tors. theta energy: -132.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1534.856218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.856218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.856218 (E_RNA) where: Base-Base interactions energy: -1056.814 where: short stacking energy: -449.393 Base-Backbone interact. energy: -2.031 local terms energy: -476.011147 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -103.706 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -125.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1486.473250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.473250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.473250 (E_RNA) where: Base-Base interactions energy: -1035.187 where: short stacking energy: -441.913 Base-Backbone interact. energy: 0.182 local terms energy: -451.469057 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -83.280 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -63.658 tors. eta vs tors. theta energy: -119.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1386.373361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.373361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.373361 (E_RNA) where: Base-Base interactions energy: -961.552 where: short stacking energy: -414.249 Base-Backbone interact. energy: -0.274 local terms energy: -424.547556 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -88.759 flat angles C4'-P-C4' energy: -97.478 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -100.607 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: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1271.304625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.304625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.304625 (E_RNA) where: Base-Base interactions energy: -847.072 where: short stacking energy: -390.781 Base-Backbone interact. energy: 1.591 local terms energy: -425.824096 where: bonds (distance) C4'-P energy: -80.530 bonds (distance) P-C4' energy: -85.279 flat angles C4'-P-C4' energy: -99.795 flat angles P-C4'-P energy: -60.322 tors. eta vs tors. theta energy: -99.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1227.843985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.843985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.843985 (E_RNA) where: Base-Base interactions energy: -841.676 where: short stacking energy: -366.257 Base-Backbone interact. energy: -0.207 local terms energy: -385.961259 where: bonds (distance) C4'-P energy: -74.502 bonds (distance) P-C4' energy: -80.473 flat angles C4'-P-C4' energy: -89.306 flat angles P-C4'-P energy: -51.532 tors. eta vs tors. theta energy: -90.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1020.551872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.551872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.551872 (E_RNA) where: Base-Base interactions energy: -630.060 where: short stacking energy: -296.196 Base-Backbone interact. energy: -1.166 local terms energy: -389.325393 where: bonds (distance) C4'-P energy: -93.131 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -73.777 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -74.993 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: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -873.180386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.180386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.180386 (E_RNA) where: Base-Base interactions energy: -568.312 where: short stacking energy: -261.131 Base-Backbone interact. energy: 0.561 local terms energy: -305.430014 where: bonds (distance) C4'-P energy: -73.147 bonds (distance) P-C4' energy: -77.722 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -42.920 tors. eta vs tors. theta energy: -44.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -736.758833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.758833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.758833 (E_RNA) where: Base-Base interactions energy: -430.894 where: short stacking energy: -209.770 Base-Backbone interact. energy: -1.252 local terms energy: -304.612922 where: bonds (distance) C4'-P energy: -71.361 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -84.338 flat angles P-C4'-P energy: -54.016 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: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -544.292273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.292273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.292273 (E_RNA) where: Base-Base interactions energy: -271.710 where: short stacking energy: -121.948 Base-Backbone interact. energy: -0.927 local terms energy: -271.655871 where: bonds (distance) C4'-P energy: -70.790 bonds (distance) P-C4' energy: -88.459 flat angles C4'-P-C4' energy: -64.701 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: 2.668 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: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1618.353213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.353213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.353213 (E_RNA) where: Base-Base interactions energy: -1107.759 where: short stacking energy: -477.743 Base-Backbone interact. energy: -0.883 local terms energy: -509.710648 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -114.845 flat angles P-C4'-P energy: -81.540 tors. eta vs tors. theta energy: -131.929 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: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1500.741663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.741663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.741663 (E_RNA) where: Base-Base interactions energy: -1003.770 where: short stacking energy: -439.635 Base-Backbone interact. energy: -2.946 local terms energy: -494.026260 where: bonds (distance) C4'-P energy: -94.943 bonds (distance) P-C4' energy: -96.702 flat angles C4'-P-C4' energy: -110.582 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -124.018 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: 55 Temperature: 1.000000 Total energy: -1436.037142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.037142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.037142 (E_RNA) where: Base-Base interactions energy: -990.147 where: short stacking energy: -404.254 Base-Backbone interact. energy: -0.028 local terms energy: -445.861569 where: bonds (distance) C4'-P energy: -80.956 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -105.248 flat angles P-C4'-P energy: -59.485 tors. eta vs tors. theta energy: -112.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1388.127153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.127153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.127153 (E_RNA) where: Base-Base interactions energy: -979.238 where: short stacking energy: -413.998 Base-Backbone interact. energy: -2.092 local terms energy: -406.796253 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -85.029 flat angles C4'-P-C4' energy: -79.702 flat angles P-C4'-P energy: -64.428 tors. eta vs tors. theta energy: -92.777 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: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1238.445724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.445724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.445724 (E_RNA) where: Base-Base interactions energy: -842.134 where: short stacking energy: -390.686 Base-Backbone interact. energy: 2.239 local terms energy: -398.550822 where: bonds (distance) C4'-P energy: -83.310 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -89.576 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -88.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1259.491132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.491132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.491132 (E_RNA) where: Base-Base interactions energy: -850.463 where: short stacking energy: -340.262 Base-Backbone interact. energy: -2.019 local terms energy: -407.009504 where: bonds (distance) C4'-P energy: -88.638 bonds (distance) P-C4' energy: -104.173 flat angles C4'-P-C4' energy: -92.102 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -75.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -990.257454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.257454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.257454 (E_RNA) where: Base-Base interactions energy: -646.864 where: short stacking energy: -315.976 Base-Backbone interact. energy: -1.968 local terms energy: -341.425058 where: bonds (distance) C4'-P energy: -76.883 bonds (distance) P-C4' energy: -77.055 flat angles C4'-P-C4' energy: -72.277 flat angles P-C4'-P energy: -45.795 tors. eta vs tors. theta energy: -69.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -771.720869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.720869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.720869 (E_RNA) where: Base-Base interactions energy: -459.746 where: short stacking energy: -232.910 Base-Backbone interact. energy: -0.424 local terms energy: -311.551258 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -94.238 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -29.000 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: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -779.986476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.986476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.986476 (E_RNA) where: Base-Base interactions energy: -491.840 where: short stacking energy: -235.785 Base-Backbone interact. energy: -0.548 local terms energy: -287.598084 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -83.346 flat angles P-C4'-P energy: -33.955 tors. eta vs tors. theta energy: -31.521 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: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -515.830007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.830007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.830007 (E_RNA) where: Base-Base interactions energy: -271.255 where: short stacking energy: -145.599 Base-Backbone interact. energy: -2.740 local terms energy: -241.834318 where: bonds (distance) C4'-P energy: -87.844 bonds (distance) P-C4' energy: -75.200 flat angles C4'-P-C4' energy: -50.120 flat angles P-C4'-P energy: -33.760 tors. eta vs tors. theta energy: 5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1604.007255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.007255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.007255 (E_RNA) where: Base-Base interactions energy: -1127.025 where: short stacking energy: -445.296 Base-Backbone interact. energy: -2.972 local terms energy: -474.010093 where: bonds (distance) C4'-P energy: -83.567 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -110.759 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -126.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1519.084970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.084970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.084970 (E_RNA) where: Base-Base interactions energy: -1053.799 where: short stacking energy: -432.548 Base-Backbone interact. energy: -4.139 local terms energy: -461.147026 where: bonds (distance) C4'-P energy: -101.744 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -92.633 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -112.974 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: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1460.251500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.251500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.251500 (E_RNA) where: Base-Base interactions energy: -1003.551 where: short stacking energy: -436.822 Base-Backbone interact. energy: -0.027 local terms energy: -456.673570 where: bonds (distance) C4'-P energy: -90.076 bonds (distance) P-C4' energy: -90.520 flat angles C4'-P-C4' energy: -93.194 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: -114.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1389.386341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.386341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.386341 (E_RNA) where: Base-Base interactions energy: -948.090 where: short stacking energy: -390.200 Base-Backbone interact. energy: -5.828 local terms energy: -435.468018 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -101.158 flat angles C4'-P-C4' energy: -91.491 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -100.993 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1309.960526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.960526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.960526 (E_RNA) where: Base-Base interactions energy: -888.669 where: short stacking energy: -376.166 Base-Backbone interact. energy: 0.132 local terms energy: -421.423546 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -86.760 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -91.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1235.511649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.511649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.511649 (E_RNA) where: Base-Base interactions energy: -837.668 where: short stacking energy: -364.767 Base-Backbone interact. energy: -1.804 local terms energy: -396.039677 where: bonds (distance) C4'-P energy: -79.363 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -90.946 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -88.648 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: 56 Temperature: 1.200000 Total energy: -1050.929459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.929459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.929459 (E_RNA) where: Base-Base interactions energy: -701.219 where: short stacking energy: -314.192 Base-Backbone interact. energy: 5.488 local terms energy: -355.198373 where: bonds (distance) C4'-P energy: -85.150 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -77.695 flat angles P-C4'-P energy: -61.579 tors. eta vs tors. theta energy: -69.653 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: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -802.063229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.063229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.063229 (E_RNA) where: Base-Base interactions energy: -473.199 where: short stacking energy: -251.620 Base-Backbone interact. energy: -0.845 local terms energy: -328.018896 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -79.189 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -30.702 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: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -812.289657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.289657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.289657 (E_RNA) where: Base-Base interactions energy: -495.601 where: short stacking energy: -218.830 Base-Backbone interact. energy: 0.604 local terms energy: -317.291880 where: bonds (distance) C4'-P energy: -82.755 bonds (distance) P-C4' energy: -83.853 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -50.582 tors. eta vs tors. theta energy: -25.514 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -557.467994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.467994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.467994 (E_RNA) where: Base-Base interactions energy: -295.610 where: short stacking energy: -183.138 Base-Backbone interact. energy: 1.237 local terms energy: -263.094509 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -78.275 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -37.353 tors. eta vs tors. theta energy: -10.432 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: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1652.098497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.098497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.098497 (E_RNA) where: Base-Base interactions energy: -1151.946 where: short stacking energy: -465.082 Base-Backbone interact. energy: -2.661 local terms energy: -497.492345 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -98.654 flat angles C4'-P-C4' energy: -102.924 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -132.418 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: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1526.241694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.241694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.241694 (E_RNA) where: Base-Base interactions energy: -1058.517 where: short stacking energy: -449.208 Base-Backbone interact. energy: -2.378 local terms energy: -465.346345 where: bonds (distance) C4'-P energy: -84.158 bonds (distance) P-C4' energy: -78.328 flat angles C4'-P-C4' energy: -109.744 flat angles P-C4'-P energy: -69.462 tors. eta vs tors. theta energy: -123.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1434.347100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.347100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.347100 (E_RNA) where: Base-Base interactions energy: -969.232 where: short stacking energy: -434.566 Base-Backbone interact. energy: -1.355 local terms energy: -463.759431 where: bonds (distance) C4'-P energy: -103.208 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -100.455 flat angles P-C4'-P energy: -61.141 tors. eta vs tors. theta energy: -117.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1386.910885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.910885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.910885 (E_RNA) where: Base-Base interactions energy: -958.655 where: short stacking energy: -414.815 Base-Backbone interact. energy: -4.539 local terms energy: -423.717576 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -62.410 tors. eta vs tors. theta energy: -113.266 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: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1273.856261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.856261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.856261 (E_RNA) where: Base-Base interactions energy: -865.990 where: short stacking energy: -368.495 Base-Backbone interact. energy: -0.856 local terms energy: -407.009828 where: bonds (distance) C4'-P energy: -76.173 bonds (distance) P-C4' energy: -86.755 flat angles C4'-P-C4' energy: -83.130 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -96.850 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: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1278.530691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.530691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.530691 (E_RNA) where: Base-Base interactions energy: -873.961 where: short stacking energy: -376.311 Base-Backbone interact. energy: -3.379 local terms energy: -401.190124 where: bonds (distance) C4'-P energy: -71.507 bonds (distance) P-C4' energy: -92.024 flat angles C4'-P-C4' energy: -81.188 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -97.670 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: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1009.019649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.019649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.019649 (E_RNA) where: Base-Base interactions energy: -655.758 where: short stacking energy: -307.420 Base-Backbone interact. energy: -1.180 local terms energy: -352.081744 where: bonds (distance) C4'-P energy: -79.956 bonds (distance) P-C4' energy: -66.620 flat angles C4'-P-C4' energy: -79.194 flat angles P-C4'-P energy: -58.384 tors. eta vs tors. theta energy: -67.929 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: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -816.686860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.686860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.686860 (E_RNA) where: Base-Base interactions energy: -513.016 where: short stacking energy: -244.463 Base-Backbone interact. energy: -1.012 local terms energy: -302.658571 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -18.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -772.998448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.998448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.998448 (E_RNA) where: Base-Base interactions energy: -430.617 where: short stacking energy: -209.797 Base-Backbone interact. energy: 1.832 local terms energy: -344.213433 where: bonds (distance) C4'-P energy: -83.872 bonds (distance) P-C4' energy: -93.241 flat angles C4'-P-C4' energy: -85.418 flat angles P-C4'-P energy: -48.794 tors. eta vs tors. theta energy: -32.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -489.310900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.310900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.310900 (E_RNA) where: Base-Base interactions energy: -255.328 where: short stacking energy: -159.918 Base-Backbone interact. energy: -0.604 local terms energy: -233.379654 where: bonds (distance) C4'-P energy: -79.445 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -52.426 flat angles P-C4'-P energy: -40.679 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: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1644.578297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.578297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.578297 (E_RNA) where: Base-Base interactions energy: -1144.154 where: short stacking energy: -459.236 Base-Backbone interact. energy: -0.646 local terms energy: -499.778073 where: bonds (distance) C4'-P energy: -83.126 bonds (distance) P-C4' energy: -98.609 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -127.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1533.104119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.104119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.104119 (E_RNA) where: Base-Base interactions energy: -1063.704 where: short stacking energy: -451.848 Base-Backbone interact. energy: -2.506 local terms energy: -466.893833 where: bonds (distance) C4'-P energy: -93.903 bonds (distance) P-C4' energy: -85.902 flat angles C4'-P-C4' energy: -104.673 flat angles P-C4'-P energy: -65.336 tors. eta vs tors. theta energy: -117.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1437.768781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.768781 (E_RNA) where: Base-Base interactions energy: -985.750 where: short stacking energy: -415.108 Base-Backbone interact. energy: -2.243 local terms energy: -449.776146 where: bonds (distance) C4'-P energy: -88.239 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -110.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1372.576551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.576551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.576551 (E_RNA) where: Base-Base interactions energy: -948.884 where: short stacking energy: -403.351 Base-Backbone interact. energy: -4.477 local terms energy: -419.215706 where: bonds (distance) C4'-P energy: -72.834 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -93.380 flat angles P-C4'-P energy: -51.850 tors. eta vs tors. theta energy: -107.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1329.100491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.100491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.100491 (E_RNA) where: Base-Base interactions energy: -901.288 where: short stacking energy: -385.749 Base-Backbone interact. energy: -1.411 local terms energy: -426.400590 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -100.931 flat angles C4'-P-C4' energy: -95.448 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -90.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1255.162328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.162328 (E_RNA) where: Base-Base interactions energy: -833.899 where: short stacking energy: -358.330 Base-Backbone interact. energy: 4.247 local terms energy: -425.510110 where: bonds (distance) C4'-P energy: -95.523 bonds (distance) P-C4' energy: -84.755 flat angles C4'-P-C4' energy: -80.972 flat angles P-C4'-P energy: -78.230 tors. eta vs tors. theta energy: -86.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1049.507037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.507037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.507037 (E_RNA) where: Base-Base interactions energy: -687.648 where: short stacking energy: -310.746 Base-Backbone interact. energy: 2.760 local terms energy: -364.619359 where: bonds (distance) C4'-P energy: -59.968 bonds (distance) P-C4' energy: -89.408 flat angles C4'-P-C4' energy: -86.881 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -69.083 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: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -843.121608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.121608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.121608 (E_RNA) where: Base-Base interactions energy: -504.489 where: short stacking energy: -249.299 Base-Backbone interact. energy: -1.943 local terms energy: -336.689672 where: bonds (distance) C4'-P energy: -81.442 bonds (distance) P-C4' energy: -79.207 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -54.534 tors. eta vs tors. theta energy: -36.426 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: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -761.833639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.833639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.833639 (E_RNA) where: Base-Base interactions energy: -461.863 where: short stacking energy: -241.361 Base-Backbone interact. energy: 0.778 local terms energy: -300.747787 where: bonds (distance) C4'-P energy: -60.716 bonds (distance) P-C4' energy: -87.670 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -49.057 tors. eta vs tors. theta energy: -35.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -534.220962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.220962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.220962 (E_RNA) where: Base-Base interactions energy: -265.508 where: short stacking energy: -172.922 Base-Backbone interact. energy: 2.570 local terms energy: -271.283378 where: bonds (distance) C4'-P energy: -88.720 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -72.708 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -6.224 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1644.643503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.643503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.643503 (E_RNA) where: Base-Base interactions energy: -1143.497 where: short stacking energy: -471.432 Base-Backbone interact. energy: -1.683 local terms energy: -499.463792 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -112.101 flat angles P-C4'-P energy: -69.125 tors. eta vs tors. theta energy: -132.836 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: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1530.857494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.857494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.857494 (E_RNA) where: Base-Base interactions energy: -1060.274 where: short stacking energy: -436.714 Base-Backbone interact. energy: 2.431 local terms energy: -473.015315 where: bonds (distance) C4'-P energy: -94.875 bonds (distance) P-C4' energy: -94.842 flat angles C4'-P-C4' energy: -101.040 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -127.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1415.653531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.653531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.653531 (E_RNA) where: Base-Base interactions energy: -939.578 where: short stacking energy: -406.174 Base-Backbone interact. energy: -3.760 local terms energy: -472.315071 where: bonds (distance) C4'-P energy: -94.350 bonds (distance) P-C4' energy: -100.196 flat angles C4'-P-C4' energy: -105.043 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -110.596 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: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1420.107643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.107643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.107643 (E_RNA) where: Base-Base interactions energy: -991.349 where: short stacking energy: -427.897 Base-Backbone interact. energy: -1.772 local terms energy: -426.987229 where: bonds (distance) C4'-P energy: -71.191 bonds (distance) P-C4' energy: -77.393 flat angles C4'-P-C4' energy: -106.567 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -107.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1298.869705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.869705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.869705 (E_RNA) where: Base-Base interactions energy: -898.661 where: short stacking energy: -386.509 Base-Backbone interact. energy: 2.093 local terms energy: -402.302079 where: bonds (distance) C4'-P energy: -70.234 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -88.657 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -95.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1225.266506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.266506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.266506 (E_RNA) where: Base-Base interactions energy: -831.665 where: short stacking energy: -341.241 Base-Backbone interact. energy: -1.361 local terms energy: -392.240424 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -84.047 flat angles C4'-P-C4' energy: -96.106 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -77.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -999.047113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.047113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.047113 (E_RNA) where: Base-Base interactions energy: -626.452 where: short stacking energy: -297.663 Base-Backbone interact. energy: -2.167 local terms energy: -370.428524 where: bonds (distance) C4'-P energy: -84.197 bonds (distance) P-C4' energy: -87.185 flat angles C4'-P-C4' energy: -85.597 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -56.435 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: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -802.505465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.505465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.505465 (E_RNA) where: Base-Base interactions energy: -487.012 where: short stacking energy: -238.672 Base-Backbone interact. energy: -1.606 local terms energy: -313.887703 where: bonds (distance) C4'-P energy: -72.584 bonds (distance) P-C4' energy: -85.628 flat angles C4'-P-C4' energy: -76.505 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -33.708 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: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -798.611322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.611322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.611322 (E_RNA) where: Base-Base interactions energy: -501.942 where: short stacking energy: -213.391 Base-Backbone interact. energy: -2.542 local terms energy: -294.127957 where: bonds (distance) C4'-P energy: -66.193 bonds (distance) P-C4' energy: -81.093 flat angles C4'-P-C4' energy: -85.573 flat angles P-C4'-P energy: -46.004 tors. eta vs tors. theta energy: -15.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -534.413298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.413298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.413298 (E_RNA) where: Base-Base interactions energy: -263.679 where: short stacking energy: -154.955 Base-Backbone interact. energy: 0.413 local terms energy: -271.147210 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -82.848 flat angles C4'-P-C4' energy: -65.779 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: 0.204 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: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1620.364100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.364100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.364100 (E_RNA) where: Base-Base interactions energy: -1108.194 where: short stacking energy: -475.007 Base-Backbone interact. energy: -3.191 local terms energy: -508.979057 where: bonds (distance) C4'-P energy: -101.775 bonds (distance) P-C4' energy: -95.948 flat angles C4'-P-C4' energy: -116.062 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -119.141 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: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1555.631926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.631926 (E_RNA) where: Base-Base interactions energy: -1083.943 where: short stacking energy: -439.061 Base-Backbone interact. energy: -7.031 local terms energy: -464.658000 where: bonds (distance) C4'-P energy: -101.784 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -84.893 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -117.477 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: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1408.547781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.547781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.547781 (E_RNA) where: Base-Base interactions energy: -962.594 where: short stacking energy: -408.971 Base-Backbone interact. energy: -4.495 local terms energy: -441.459363 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -86.078 flat angles C4'-P-C4' energy: -106.465 flat angles P-C4'-P energy: -64.804 tors. eta vs tors. theta energy: -104.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1392.029951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.029951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.029951 (E_RNA) where: Base-Base interactions energy: -949.499 where: short stacking energy: -428.518 Base-Backbone interact. energy: 2.914 local terms energy: -445.444558 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -115.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1313.128185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.128185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.128185 (E_RNA) where: Base-Base interactions energy: -870.664 where: short stacking energy: -377.750 Base-Backbone interact. energy: -3.700 local terms energy: -438.764734 where: bonds (distance) C4'-P energy: -88.767 bonds (distance) P-C4' energy: -89.115 flat angles C4'-P-C4' energy: -103.178 flat angles P-C4'-P energy: -60.001 tors. eta vs tors. theta energy: -97.704 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: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1172.705577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.705577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.705577 (E_RNA) where: Base-Base interactions energy: -826.605 where: short stacking energy: -320.201 Base-Backbone interact. energy: 0.109 local terms energy: -346.209798 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -78.589 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -942.233242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.233242 (E_RNA) where: Base-Base interactions energy: -605.419 where: short stacking energy: -283.554 Base-Backbone interact. energy: 1.113 local terms energy: -337.927015 where: bonds (distance) C4'-P energy: -81.697 bonds (distance) P-C4' energy: -78.521 flat angles C4'-P-C4' energy: -73.954 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -54.349 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -822.291752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.291752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.291752 (E_RNA) where: Base-Base interactions energy: -475.387 where: short stacking energy: -233.628 Base-Backbone interact. energy: -0.584 local terms energy: -346.320715 where: bonds (distance) C4'-P energy: -76.752 bonds (distance) P-C4' energy: -81.334 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: -44.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -827.520861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.520861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.520861 (E_RNA) where: Base-Base interactions energy: -488.106 where: short stacking energy: -222.038 Base-Backbone interact. energy: -0.741 local terms energy: -338.673545 where: bonds (distance) C4'-P energy: -74.746 bonds (distance) P-C4' energy: -91.602 flat angles C4'-P-C4' energy: -86.831 flat angles P-C4'-P energy: -52.042 tors. eta vs tors. theta energy: -33.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -487.992951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.992951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.992951 (E_RNA) where: Base-Base interactions energy: -209.307 where: short stacking energy: -134.042 Base-Backbone interact. energy: -0.653 local terms energy: -278.033844 where: bonds (distance) C4'-P energy: -63.512 bonds (distance) P-C4' energy: -84.246 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -3.011 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: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1629.879633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.879633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.879633 (E_RNA) where: Base-Base interactions energy: -1129.464 where: short stacking energy: -460.444 Base-Backbone interact. energy: 0.201 local terms energy: -500.616865 where: bonds (distance) C4'-P energy: -100.467 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -97.741 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -132.229 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: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1544.574955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.574955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.574955 (E_RNA) where: Base-Base interactions energy: -1085.323 where: short stacking energy: -449.118 Base-Backbone interact. energy: -2.162 local terms energy: -457.090464 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -83.185 flat angles C4'-P-C4' energy: -100.651 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -124.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1382.712324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.712324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.712324 (E_RNA) where: Base-Base interactions energy: -940.134 where: short stacking energy: -399.161 Base-Backbone interact. energy: 3.020 local terms energy: -445.598583 where: bonds (distance) C4'-P energy: -90.350 bonds (distance) P-C4' energy: -93.183 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -111.411 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: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1398.144999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.144999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.144999 (E_RNA) where: Base-Base interactions energy: -957.907 where: short stacking energy: -418.465 Base-Backbone interact. energy: 1.039 local terms energy: -441.276876 where: bonds (distance) C4'-P energy: -90.077 bonds (distance) P-C4' energy: -84.521 flat angles C4'-P-C4' energy: -101.910 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -117.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1348.209332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.209332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.209332 (E_RNA) where: Base-Base interactions energy: -905.117 where: short stacking energy: -386.011 Base-Backbone interact. energy: -0.581 local terms energy: -442.511560 where: bonds (distance) C4'-P energy: -80.421 bonds (distance) P-C4' energy: -96.224 flat angles C4'-P-C4' energy: -104.823 flat angles P-C4'-P energy: -66.921 tors. eta vs tors. theta energy: -94.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1156.514763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.514763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.514763 (E_RNA) where: Base-Base interactions energy: -786.089 where: short stacking energy: -352.472 Base-Backbone interact. energy: -2.508 local terms energy: -367.918374 where: bonds (distance) C4'-P energy: -79.444 bonds (distance) P-C4' energy: -88.591 flat angles C4'-P-C4' energy: -84.995 flat angles P-C4'-P energy: -30.156 tors. eta vs tors. theta energy: -84.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -978.050658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.050658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.050658 (E_RNA) where: Base-Base interactions energy: -613.522 where: short stacking energy: -291.747 Base-Backbone interact. energy: 1.630 local terms energy: -366.158988 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -86.385 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -62.445 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: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -814.865329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.865329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.865329 (E_RNA) where: Base-Base interactions energy: -492.696 where: short stacking energy: -246.642 Base-Backbone interact. energy: -0.249 local terms energy: -321.920926 where: bonds (distance) C4'-P energy: -72.041 bonds (distance) P-C4' energy: -96.797 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -31.444 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: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -668.618804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.618804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.618804 (E_RNA) where: Base-Base interactions energy: -373.893 where: short stacking energy: -208.133 Base-Backbone interact. energy: 0.079 local terms energy: -294.804537 where: bonds (distance) C4'-P energy: -86.688 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -80.797 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -21.322 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: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -518.286310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.286310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.286310 (E_RNA) where: Base-Base interactions energy: -283.884 where: short stacking energy: -170.695 Base-Backbone interact. energy: 0.542 local terms energy: -234.944185 where: bonds (distance) C4'-P energy: -63.692 bonds (distance) P-C4' energy: -69.321 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -39.982 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1630.238059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.238059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.238059 (E_RNA) where: Base-Base interactions energy: -1123.437 where: short stacking energy: -478.917 Base-Backbone interact. energy: -1.979 local terms energy: -504.822800 where: bonds (distance) C4'-P energy: -95.805 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -80.829 tors. eta vs tors. theta energy: -131.151 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: 62 Temperature: 0.950000 Total energy: -1577.449598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.449598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.449598 (E_RNA) where: Base-Base interactions energy: -1099.633 where: short stacking energy: -440.350 Base-Backbone interact. energy: -2.326 local terms energy: -475.490375 where: bonds (distance) C4'-P energy: -81.278 bonds (distance) P-C4' energy: -100.043 flat angles C4'-P-C4' energy: -104.792 flat angles P-C4'-P energy: -70.031 tors. eta vs tors. theta energy: -119.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1468.966380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.966380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.966380 (E_RNA) where: Base-Base interactions energy: -1013.035 where: short stacking energy: -443.951 Base-Backbone interact. energy: -2.916 local terms energy: -453.015624 where: bonds (distance) C4'-P energy: -88.224 bonds (distance) P-C4' energy: -86.956 flat angles C4'-P-C4' energy: -92.956 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -121.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1333.986446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.986446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.986446 (E_RNA) where: Base-Base interactions energy: -881.591 where: short stacking energy: -395.419 Base-Backbone interact. energy: 4.096 local terms energy: -456.491236 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -97.186 flat angles C4'-P-C4' energy: -95.824 flat angles P-C4'-P energy: -54.837 tors. eta vs tors. theta energy: -108.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1301.546492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.546492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.546492 (E_RNA) where: Base-Base interactions energy: -870.234 where: short stacking energy: -359.782 Base-Backbone interact. energy: -2.136 local terms energy: -429.175706 where: bonds (distance) C4'-P energy: -92.412 bonds (distance) P-C4' energy: -76.036 flat angles C4'-P-C4' energy: -99.999 flat angles P-C4'-P energy: -68.898 tors. eta vs tors. theta energy: -91.831 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: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1279.769245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.769245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.769245 (E_RNA) where: Base-Base interactions energy: -894.859 where: short stacking energy: -353.285 Base-Backbone interact. energy: -0.829 local terms energy: -384.081156 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -83.452 flat angles C4'-P-C4' energy: -92.923 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: -68.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -973.554389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.554389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.554389 (E_RNA) where: Base-Base interactions energy: -618.600 where: short stacking energy: -282.500 Base-Backbone interact. energy: -0.901 local terms energy: -354.052725 where: bonds (distance) C4'-P energy: -77.021 bonds (distance) P-C4' energy: -86.961 flat angles C4'-P-C4' energy: -73.429 flat angles P-C4'-P energy: -56.598 tors. eta vs tors. theta energy: -60.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -809.699688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.699688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.699688 (E_RNA) where: Base-Base interactions energy: -497.921 where: short stacking energy: -252.511 Base-Backbone interact. energy: 4.566 local terms energy: -316.344773 where: bonds (distance) C4'-P energy: -83.254 bonds (distance) P-C4' energy: -80.128 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -44.962 tors. eta vs tors. theta energy: -37.645 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: 62 Temperature: 1.300000 Total energy: -654.977838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.977838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.977838 (E_RNA) where: Base-Base interactions energy: -374.896 where: short stacking energy: -199.546 Base-Backbone interact. energy: 4.644 local terms energy: -284.725812 where: bonds (distance) C4'-P energy: -80.507 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -75.076 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: -5.042 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -539.082354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.082354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.082354 (E_RNA) where: Base-Base interactions energy: -265.534 where: short stacking energy: -138.673 Base-Backbone interact. energy: -0.513 local terms energy: -273.035253 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -92.804 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: 13.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1636.235007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.235007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.235007 (E_RNA) where: Base-Base interactions energy: -1145.675 where: short stacking energy: -465.252 Base-Backbone interact. energy: 1.425 local terms energy: -491.985347 where: bonds (distance) C4'-P energy: -92.216 bonds (distance) P-C4' energy: -108.216 flat angles C4'-P-C4' energy: -92.277 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -136.908 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: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1581.937761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.937761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.937761 (E_RNA) where: Base-Base interactions energy: -1098.572 where: short stacking energy: -446.053 Base-Backbone interact. energy: -3.544 local terms energy: -479.821250 where: bonds (distance) C4'-P energy: -83.895 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -104.493 flat angles P-C4'-P energy: -69.187 tors. eta vs tors. theta energy: -125.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1451.454072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.454072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.454072 (E_RNA) where: Base-Base interactions energy: -997.240 where: short stacking energy: -446.384 Base-Backbone interact. energy: -3.011 local terms energy: -451.203254 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -95.748 flat angles P-C4'-P energy: -69.378 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: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1339.372878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.372878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.372878 (E_RNA) where: Base-Base interactions energy: -921.639 where: short stacking energy: -373.355 Base-Backbone interact. energy: -2.668 local terms energy: -415.066549 where: bonds (distance) C4'-P energy: -89.636 bonds (distance) P-C4' energy: -82.210 flat angles C4'-P-C4' energy: -98.260 flat angles P-C4'-P energy: -51.076 tors. eta vs tors. theta energy: -93.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1252.547005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.547005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.547005 (E_RNA) where: Base-Base interactions energy: -849.253 where: short stacking energy: -364.412 Base-Backbone interact. energy: -1.272 local terms energy: -402.022046 where: bonds (distance) C4'-P energy: -84.749 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -94.140 flat angles P-C4'-P energy: -53.229 tors. eta vs tors. theta energy: -90.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1294.378785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.378785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.378785 (E_RNA) where: Base-Base interactions energy: -904.479 where: short stacking energy: -380.170 Base-Backbone interact. energy: -0.499 local terms energy: -389.400620 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -97.385 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -89.881 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: 7, replica: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1008.089113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.089113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.089113 (E_RNA) where: Base-Base interactions energy: -643.490 where: short stacking energy: -280.297 Base-Backbone interact. energy: -1.579 local terms energy: -363.019926 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -91.760 flat angles C4'-P-C4' energy: -79.212 flat angles P-C4'-P energy: -46.131 tors. eta vs tors. theta energy: -62.925 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: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -860.264361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.264361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.264361 (E_RNA) where: Base-Base interactions energy: -531.909 where: short stacking energy: -257.072 Base-Backbone interact. energy: -1.704 local terms energy: -326.650966 where: bonds (distance) C4'-P energy: -77.012 bonds (distance) P-C4' energy: -88.359 flat angles C4'-P-C4' energy: -89.060 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -33.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -599.528725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.528725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.528725 (E_RNA) where: Base-Base interactions energy: -305.084 where: short stacking energy: -189.608 Base-Backbone interact. energy: -2.157 local terms energy: -292.287665 where: bonds (distance) C4'-P energy: -70.855 bonds (distance) P-C4' energy: -88.307 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -37.376 tors. eta vs tors. theta energy: -22.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -560.346504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.346504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.346504 (E_RNA) where: Base-Base interactions energy: -297.348 where: short stacking energy: -154.753 Base-Backbone interact. energy: 5.445 local terms energy: -268.442847 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -63.777 flat angles P-C4'-P energy: -50.959 tors. eta vs tors. theta energy: 19.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1610.951411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.951411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.951411 (E_RNA) where: Base-Base interactions energy: -1111.670 where: short stacking energy: -448.819 Base-Backbone interact. energy: -4.661 local terms energy: -494.620588 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -94.283 flat angles C4'-P-C4' energy: -118.976 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -132.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1618.966618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.966618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.966618 (E_RNA) where: Base-Base interactions energy: -1114.255 where: short stacking energy: -460.658 Base-Backbone interact. energy: 0.264 local terms energy: -504.976244 where: bonds (distance) C4'-P energy: -92.039 bonds (distance) P-C4' energy: -93.129 flat angles C4'-P-C4' energy: -111.350 flat angles P-C4'-P energy: -78.805 tors. eta vs tors. theta energy: -129.653 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: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1439.880236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.880236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.880236 (E_RNA) where: Base-Base interactions energy: -974.553 where: short stacking energy: -439.682 Base-Backbone interact. energy: -2.732 local terms energy: -462.595645 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -81.535 flat angles C4'-P-C4' energy: -106.744 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -115.449 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: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1307.443698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.443698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.443698 (E_RNA) where: Base-Base interactions energy: -875.732 where: short stacking energy: -391.037 Base-Backbone interact. energy: -1.882 local terms energy: -429.829433 where: bonds (distance) C4'-P energy: -87.014 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -94.578 flat angles P-C4'-P energy: -58.081 tors. eta vs tors. theta energy: -110.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1282.893193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.893193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.893193 (E_RNA) where: Base-Base interactions energy: -867.060 where: short stacking energy: -392.103 Base-Backbone interact. energy: -2.421 local terms energy: -413.412060 where: bonds (distance) C4'-P energy: -67.061 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -103.763 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: -102.454 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1247.568440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.568440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.568440 (E_RNA) where: Base-Base interactions energy: -847.983 where: short stacking energy: -368.876 Base-Backbone interact. energy: -2.258 local terms energy: -397.327674 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -89.346 flat angles C4'-P-C4' energy: -80.856 flat angles P-C4'-P energy: -55.866 tors. eta vs tors. theta energy: -99.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1002.894289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.894289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.894289 (E_RNA) where: Base-Base interactions energy: -630.749 where: short stacking energy: -302.398 Base-Backbone interact. energy: 1.744 local terms energy: -373.888833 where: bonds (distance) C4'-P energy: -97.841 bonds (distance) P-C4' energy: -79.517 flat angles C4'-P-C4' energy: -81.452 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -57.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -839.747307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.747307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.747307 (E_RNA) where: Base-Base interactions energy: -518.203 where: short stacking energy: -234.514 Base-Backbone interact. energy: -0.814 local terms energy: -320.729696 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -104.723 flat angles C4'-P-C4' energy: -56.022 flat angles P-C4'-P energy: -44.800 tors. eta vs tors. theta energy: -37.508 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -656.930428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.930428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.930428 (E_RNA) where: Base-Base interactions energy: -358.863 where: short stacking energy: -199.162 Base-Backbone interact. energy: -0.718 local terms energy: -297.349932 where: bonds (distance) C4'-P energy: -74.717 bonds (distance) P-C4' energy: -92.709 flat angles C4'-P-C4' energy: -60.883 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: -24.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -583.568878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.568878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.568878 (E_RNA) where: Base-Base interactions energy: -328.217 where: short stacking energy: -174.934 Base-Backbone interact. energy: -0.170 local terms energy: -255.181406 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -82.899 flat angles C4'-P-C4' energy: -63.766 flat angles P-C4'-P energy: -31.448 tors. eta vs tors. theta energy: -18.891 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: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1641.781872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.781872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.781872 (E_RNA) where: Base-Base interactions energy: -1142.462 where: short stacking energy: -463.867 Base-Backbone interact. energy: -1.668 local terms energy: -497.651764 where: bonds (distance) C4'-P energy: -99.486 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -104.947 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -125.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1563.733934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.733934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.733934 (E_RNA) where: Base-Base interactions energy: -1093.303 where: short stacking energy: -479.309 Base-Backbone interact. energy: -2.608 local terms energy: -467.822075 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -83.323 flat angles C4'-P-C4' energy: -111.879 flat angles P-C4'-P energy: -59.284 tors. eta vs tors. theta energy: -132.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1475.154193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.154193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.154193 (E_RNA) where: Base-Base interactions energy: -1005.661 where: short stacking energy: -443.778 Base-Backbone interact. energy: -2.732 local terms energy: -466.761235 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -95.553 flat angles C4'-P-C4' energy: -101.746 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -118.877 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: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1332.119028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.119028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.119028 (E_RNA) where: Base-Base interactions energy: -915.822 where: short stacking energy: -367.723 Base-Backbone interact. energy: 0.612 local terms energy: -416.909737 where: bonds (distance) C4'-P energy: -88.303 bonds (distance) P-C4' energy: -83.418 flat angles C4'-P-C4' energy: -91.800 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1289.170065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.170065 (E_RNA) where: Base-Base interactions energy: -869.202 where: short stacking energy: -394.968 Base-Backbone interact. energy: -1.260 local terms energy: -418.707717 where: bonds (distance) C4'-P energy: -68.891 bonds (distance) P-C4' energy: -84.445 flat angles C4'-P-C4' energy: -102.415 flat angles P-C4'-P energy: -66.838 tors. eta vs tors. theta energy: -96.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1218.132583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.132583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.132583 (E_RNA) where: Base-Base interactions energy: -791.463 where: short stacking energy: -368.202 Base-Backbone interact. energy: -1.513 local terms energy: -425.157097 where: bonds (distance) C4'-P energy: -90.597 bonds (distance) P-C4' energy: -89.757 flat angles C4'-P-C4' energy: -91.832 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -87.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -964.757518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.757518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.757518 (E_RNA) where: Base-Base interactions energy: -593.719 where: short stacking energy: -291.317 Base-Backbone interact. energy: 3.110 local terms energy: -374.148587 where: bonds (distance) C4'-P energy: -80.513 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -90.861 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -62.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -834.373092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.373092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.373092 (E_RNA) where: Base-Base interactions energy: -535.392 where: short stacking energy: -217.680 Base-Backbone interact. energy: -3.586 local terms energy: -295.395047 where: bonds (distance) C4'-P energy: -76.750 bonds (distance) P-C4' energy: -86.017 flat angles C4'-P-C4' energy: -78.565 flat angles P-C4'-P energy: -34.600 tors. eta vs tors. theta energy: -19.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -660.673253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.673253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.673253 (E_RNA) where: Base-Base interactions energy: -374.968 where: short stacking energy: -205.890 Base-Backbone interact. energy: -1.028 local terms energy: -284.677012 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -78.369 flat angles C4'-P-C4' energy: -68.675 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: -25.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -585.841758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.841758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.841758 (E_RNA) where: Base-Base interactions energy: -306.428 where: short stacking energy: -172.042 Base-Backbone interact. energy: 0.581 local terms energy: -279.994980 where: bonds (distance) C4'-P energy: -82.397 bonds (distance) P-C4' energy: -92.878 flat angles C4'-P-C4' energy: -63.687 flat angles P-C4'-P energy: -36.857 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1645.377460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.377460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.377460 (E_RNA) where: Base-Base interactions energy: -1134.673 where: short stacking energy: -465.127 Base-Backbone interact. energy: -6.353 local terms energy: -504.351032 where: bonds (distance) C4'-P energy: -86.064 bonds (distance) P-C4' energy: -104.765 flat angles C4'-P-C4' energy: -109.248 flat angles P-C4'-P energy: -76.025 tors. eta vs tors. theta energy: -128.250 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: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1552.102130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.102130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.102130 (E_RNA) where: Base-Base interactions energy: -1057.517 where: short stacking energy: -484.628 Base-Backbone interact. energy: -1.317 local terms energy: -493.268765 where: bonds (distance) C4'-P energy: -86.845 bonds (distance) P-C4' energy: -99.193 flat angles C4'-P-C4' energy: -103.125 flat angles P-C4'-P energy: -72.578 tors. eta vs tors. theta energy: -131.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1447.494255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.494255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.494255 (E_RNA) where: Base-Base interactions energy: -999.548 where: short stacking energy: -424.891 Base-Backbone interact. energy: -3.309 local terms energy: -444.637275 where: bonds (distance) C4'-P energy: -87.054 bonds (distance) P-C4' energy: -87.177 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -108.183 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: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1281.824363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.824363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.824363 (E_RNA) where: Base-Base interactions energy: -847.153 where: short stacking energy: -367.401 Base-Backbone interact. energy: -1.334 local terms energy: -433.338039 where: bonds (distance) C4'-P energy: -83.919 bonds (distance) P-C4' energy: -99.761 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -66.664 tors. eta vs tors. theta energy: -83.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1319.827321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.827321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.827321 (E_RNA) where: Base-Base interactions energy: -876.987 where: short stacking energy: -395.821 Base-Backbone interact. energy: -3.756 local terms energy: -439.083987 where: bonds (distance) C4'-P energy: -80.041 bonds (distance) P-C4' energy: -91.724 flat angles C4'-P-C4' energy: -95.919 flat angles P-C4'-P energy: -58.882 tors. eta vs tors. theta energy: -112.519 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: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1233.193186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.193186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.193186 (E_RNA) where: Base-Base interactions energy: -847.479 where: short stacking energy: -370.207 Base-Backbone interact. energy: 0.978 local terms energy: -386.692119 where: bonds (distance) C4'-P energy: -75.529 bonds (distance) P-C4' energy: -76.124 flat angles C4'-P-C4' energy: -83.987 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -86.784 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: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -981.145829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.145829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.145829 (E_RNA) where: Base-Base interactions energy: -617.762 where: short stacking energy: -282.568 Base-Backbone interact. energy: 2.713 local terms energy: -366.097027 where: bonds (distance) C4'-P energy: -83.776 bonds (distance) P-C4' energy: -80.029 flat angles C4'-P-C4' energy: -83.363 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: -64.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -812.381554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.381554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.381554 (E_RNA) where: Base-Base interactions energy: -505.924 where: short stacking energy: -238.562 Base-Backbone interact. energy: 2.465 local terms energy: -308.922745 where: bonds (distance) C4'-P energy: -67.336 bonds (distance) P-C4' energy: -90.215 flat angles C4'-P-C4' energy: -90.815 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -24.341 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: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -728.414604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.414604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.414604 (E_RNA) where: Base-Base interactions energy: -419.301 where: short stacking energy: -215.608 Base-Backbone interact. energy: 1.331 local terms energy: -310.444606 where: bonds (distance) C4'-P energy: -50.692 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -30.656 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: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -590.576394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.576394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.576394 (E_RNA) where: Base-Base interactions energy: -321.347 where: short stacking energy: -178.536 Base-Backbone interact. energy: 0.252 local terms energy: -269.481775 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -77.146 flat angles P-C4'-P energy: -28.481 tors. eta vs tors. theta energy: -2.623 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: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1637.953953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.953953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.953953 (E_RNA) where: Base-Base interactions energy: -1142.759 where: short stacking energy: -471.671 Base-Backbone interact. energy: -1.818 local terms energy: -493.377079 where: bonds (distance) C4'-P energy: -93.291 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -64.551 tors. eta vs tors. theta energy: -129.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1533.069225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.069225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.069225 (E_RNA) where: Base-Base interactions energy: -1063.061 where: short stacking energy: -470.129 Base-Backbone interact. energy: 1.430 local terms energy: -471.438169 where: bonds (distance) C4'-P energy: -82.947 bonds (distance) P-C4' energy: -87.630 flat angles C4'-P-C4' energy: -104.436 flat angles P-C4'-P energy: -66.000 tors. eta vs tors. theta energy: -130.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1466.527393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.527393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.527393 (E_RNA) where: Base-Base interactions energy: -1037.651 where: short stacking energy: -430.087 Base-Backbone interact. energy: -2.607 local terms energy: -426.269171 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -92.648 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: -110.362 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: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1343.374561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.374561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.374561 (E_RNA) where: Base-Base interactions energy: -911.022 where: short stacking energy: -414.481 Base-Backbone interact. energy: -3.228 local terms energy: -429.124384 where: bonds (distance) C4'-P energy: -90.575 bonds (distance) P-C4' energy: -82.413 flat angles C4'-P-C4' energy: -89.694 flat angles P-C4'-P energy: -63.882 tors. eta vs tors. theta energy: -102.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1336.129560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.129560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.129560 (E_RNA) where: Base-Base interactions energy: -916.588 where: short stacking energy: -401.897 Base-Backbone interact. energy: -2.387 local terms energy: -417.154597 where: bonds (distance) C4'-P energy: -96.271 bonds (distance) P-C4' energy: -77.362 flat angles C4'-P-C4' energy: -93.445 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -90.982 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: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1227.793657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.793657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.793657 (E_RNA) where: Base-Base interactions energy: -850.637 where: short stacking energy: -386.498 Base-Backbone interact. energy: 4.960 local terms energy: -382.116526 where: bonds (distance) C4'-P energy: -64.275 bonds (distance) P-C4' energy: -81.971 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -61.913 tors. eta vs tors. theta energy: -84.743 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: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -957.148247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.148247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.148247 (E_RNA) where: Base-Base interactions energy: -608.220 where: short stacking energy: -287.635 Base-Backbone interact. energy: 0.551 local terms energy: -349.479845 where: bonds (distance) C4'-P energy: -87.274 bonds (distance) P-C4' energy: -75.679 flat angles C4'-P-C4' energy: -84.746 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: -60.561 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: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -786.777871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.777871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.777871 (E_RNA) where: Base-Base interactions energy: -465.796 where: short stacking energy: -242.925 Base-Backbone interact. energy: -0.813 local terms energy: -320.169527 where: bonds (distance) C4'-P energy: -80.328 bonds (distance) P-C4' energy: -79.003 flat angles C4'-P-C4' energy: -82.610 flat angles P-C4'-P energy: -43.837 tors. eta vs tors. theta energy: -34.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -732.932023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.932023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.932023 (E_RNA) where: Base-Base interactions energy: -416.022 where: short stacking energy: -228.561 Base-Backbone interact. energy: -2.344 local terms energy: -314.566492 where: bonds (distance) C4'-P energy: -73.847 bonds (distance) P-C4' energy: -90.140 flat angles C4'-P-C4' energy: -82.773 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -20.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -563.838890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.838890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.838890 (E_RNA) where: Base-Base interactions energy: -296.605 where: short stacking energy: -161.907 Base-Backbone interact. energy: -0.180 local terms energy: -267.054556 where: bonds (distance) C4'-P energy: -79.996 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -49.415 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: 0.165 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: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1617.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.724086 (E_RNA) where: Base-Base interactions energy: -1103.212 where: short stacking energy: -463.139 Base-Backbone interact. energy: -3.962 local terms energy: -510.550181 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -105.736 flat angles C4'-P-C4' energy: -116.283 flat angles P-C4'-P energy: -70.814 tors. eta vs tors. theta energy: -133.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1552.436222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.436222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.436222 (E_RNA) where: Base-Base interactions energy: -1083.577 where: short stacking energy: -481.479 Base-Backbone interact. energy: -1.037 local terms energy: -467.822255 where: bonds (distance) C4'-P energy: -86.320 bonds (distance) P-C4' energy: -85.339 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -63.580 tors. eta vs tors. theta energy: -131.891 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: 68 Temperature: 1.000000 Total energy: -1369.690936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.690936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.690936 (E_RNA) where: Base-Base interactions energy: -936.547 where: short stacking energy: -426.411 Base-Backbone interact. energy: -1.775 local terms energy: -431.368817 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -82.910 flat angles C4'-P-C4' energy: -101.420 flat angles P-C4'-P energy: -61.960 tors. eta vs tors. theta energy: -110.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1433.877522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.877522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.877522 (E_RNA) where: Base-Base interactions energy: -988.640 where: short stacking energy: -419.321 Base-Backbone interact. energy: 1.558 local terms energy: -446.795441 where: bonds (distance) C4'-P energy: -71.361 bonds (distance) P-C4' energy: -95.959 flat angles C4'-P-C4' energy: -102.909 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -109.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1286.976394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.976394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.976394 (E_RNA) where: Base-Base interactions energy: -857.608 where: short stacking energy: -368.913 Base-Backbone interact. energy: -1.692 local terms energy: -427.676601 where: bonds (distance) C4'-P energy: -87.102 bonds (distance) P-C4' energy: -102.898 flat angles C4'-P-C4' energy: -94.419 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: -89.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1246.983887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.983887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.983887 (E_RNA) where: Base-Base interactions energy: -838.253 where: short stacking energy: -352.479 Base-Backbone interact. energy: -2.364 local terms energy: -406.366455 where: bonds (distance) C4'-P energy: -75.560 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -93.301 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -88.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -957.674736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.674736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.674736 (E_RNA) where: Base-Base interactions energy: -608.528 where: short stacking energy: -313.437 Base-Backbone interact. energy: -0.727 local terms energy: -348.419168 where: bonds (distance) C4'-P energy: -72.408 bonds (distance) P-C4' energy: -76.682 flat angles C4'-P-C4' energy: -83.903 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -57.448 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: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -814.613390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.613390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.613390 (E_RNA) where: Base-Base interactions energy: -483.704 where: short stacking energy: -253.468 Base-Backbone interact. energy: 0.293 local terms energy: -331.201671 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -90.217 flat angles C4'-P-C4' energy: -75.161 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -26.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -735.461790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.461790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.461790 (E_RNA) where: Base-Base interactions energy: -446.120 where: short stacking energy: -233.856 Base-Backbone interact. energy: -2.352 local terms energy: -286.989152 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -84.676 flat angles C4'-P-C4' energy: -65.687 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -35.575 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: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -554.021045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.021045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.021045 (E_RNA) where: Base-Base interactions energy: -294.220 where: short stacking energy: -168.359 Base-Backbone interact. energy: 0.711 local terms energy: -260.511773 where: bonds (distance) C4'-P energy: -73.261 bonds (distance) P-C4' energy: -88.321 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1621.348481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.348481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.348481 (E_RNA) where: Base-Base interactions energy: -1136.033 where: short stacking energy: -471.290 Base-Backbone interact. energy: 0.199 local terms energy: -485.514810 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -93.453 flat angles C4'-P-C4' energy: -110.140 flat angles P-C4'-P energy: -66.064 tors. eta vs tors. theta energy: -131.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1554.521436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.521436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.521436 (E_RNA) where: Base-Base interactions energy: -1074.823 where: short stacking energy: -468.308 Base-Backbone interact. energy: -0.791 local terms energy: -478.907506 where: bonds (distance) C4'-P energy: -88.300 bonds (distance) P-C4' energy: -86.568 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -65.997 tors. eta vs tors. theta energy: -133.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1356.171675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.171675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.171675 (E_RNA) where: Base-Base interactions energy: -941.676 where: short stacking energy: -420.918 Base-Backbone interact. energy: -0.999 local terms energy: -413.496285 where: bonds (distance) C4'-P energy: -85.956 bonds (distance) P-C4' energy: -86.230 flat angles C4'-P-C4' energy: -87.474 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -95.450 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: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1439.957836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.957836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.957836 (E_RNA) where: Base-Base interactions energy: -997.032 where: short stacking energy: -417.456 Base-Backbone interact. energy: -3.224 local terms energy: -439.702477 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -112.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1284.872906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.872906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.872906 (E_RNA) where: Base-Base interactions energy: -862.036 where: short stacking energy: -367.996 Base-Backbone interact. energy: 2.734 local terms energy: -425.570989 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -87.059 flat angles C4'-P-C4' energy: -99.880 flat angles P-C4'-P energy: -60.587 tors. eta vs tors. theta energy: -89.199 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: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1240.890048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.890048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.890048 (E_RNA) where: Base-Base interactions energy: -855.187 where: short stacking energy: -360.320 Base-Backbone interact. energy: 0.441 local terms energy: -386.144592 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -87.439 flat angles C4'-P-C4' energy: -90.695 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -92.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1031.969980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.969980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.969980 (E_RNA) where: Base-Base interactions energy: -660.603 where: short stacking energy: -294.551 Base-Backbone interact. energy: -2.594 local terms energy: -368.773350 where: bonds (distance) C4'-P energy: -78.366 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -61.662 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: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -751.769327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.769327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.769327 (E_RNA) where: Base-Base interactions energy: -453.092 where: short stacking energy: -214.891 Base-Backbone interact. energy: 0.051 local terms energy: -298.728321 where: bonds (distance) C4'-P energy: -78.560 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -78.992 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -676.936637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.936637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.936637 (E_RNA) where: Base-Base interactions energy: -380.390 where: short stacking energy: -177.246 Base-Backbone interact. energy: -2.240 local terms energy: -294.306498 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -76.269 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -11.609 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: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -504.498423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.498423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.498423 (E_RNA) where: Base-Base interactions energy: -224.630 where: short stacking energy: -135.224 Base-Backbone interact. energy: 1.247 local terms energy: -281.115756 where: bonds (distance) C4'-P energy: -82.371 bonds (distance) P-C4' energy: -79.391 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -41.962 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: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1622.109555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.109555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.109555 (E_RNA) where: Base-Base interactions energy: -1107.162 where: short stacking energy: -468.496 Base-Backbone interact. energy: 1.418 local terms energy: -516.366217 where: bonds (distance) C4'-P energy: -97.230 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -79.378 tors. eta vs tors. theta energy: -130.458 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: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1577.684503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.684503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.684503 (E_RNA) where: Base-Base interactions energy: -1073.658 where: short stacking energy: -461.130 Base-Backbone interact. energy: -1.756 local terms energy: -502.269783 where: bonds (distance) C4'-P energy: -95.290 bonds (distance) P-C4' energy: -103.989 flat angles C4'-P-C4' energy: -106.199 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -136.051 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: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1474.528001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.528001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.528001 (E_RNA) where: Base-Base interactions energy: -1023.020 where: short stacking energy: -427.498 Base-Backbone interact. energy: -2.566 local terms energy: -448.942866 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -83.539 flat angles C4'-P-C4' energy: -104.646 flat angles P-C4'-P energy: -66.444 tors. eta vs tors. theta energy: -108.539 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: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1354.649739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.649739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.649739 (E_RNA) where: Base-Base interactions energy: -929.378 where: short stacking energy: -406.435 Base-Backbone interact. energy: -2.334 local terms energy: -422.937286 where: bonds (distance) C4'-P energy: -80.608 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -95.419 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: -100.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1228.535901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.535901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.535901 (E_RNA) where: Base-Base interactions energy: -834.820 where: short stacking energy: -366.000 Base-Backbone interact. energy: -1.890 local terms energy: -391.825523 where: bonds (distance) C4'-P energy: -79.770 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -88.436 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -87.398 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: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1178.368600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.368600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.368600 (E_RNA) where: Base-Base interactions energy: -788.213 where: short stacking energy: -329.132 Base-Backbone interact. energy: -3.664 local terms energy: -386.491280 where: bonds (distance) C4'-P energy: -90.835 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -94.924 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -69.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1029.380391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.380391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.380391 (E_RNA) where: Base-Base interactions energy: -653.141 where: short stacking energy: -307.434 Base-Backbone interact. energy: -2.017 local terms energy: -374.221962 where: bonds (distance) C4'-P energy: -71.302 bonds (distance) P-C4' energy: -83.310 flat angles C4'-P-C4' energy: -85.773 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -68.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -830.105778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.105778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.105778 (E_RNA) where: Base-Base interactions energy: -488.005 where: short stacking energy: -253.584 Base-Backbone interact. energy: -2.380 local terms energy: -339.720604 where: bonds (distance) C4'-P energy: -76.455 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -83.898 flat angles P-C4'-P energy: -47.352 tors. eta vs tors. theta energy: -54.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -719.616436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.616436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.616436 (E_RNA) where: Base-Base interactions energy: -431.026 where: short stacking energy: -207.832 Base-Backbone interact. energy: -2.329 local terms energy: -286.261411 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -80.485 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -15.372 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: 70 Temperature: 1.350000 Total energy: -475.045247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.045247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.045247 (E_RNA) where: Base-Base interactions energy: -221.681 where: short stacking energy: -148.084 Base-Backbone interact. energy: 2.959 local terms energy: -256.323617 where: bonds (distance) C4'-P energy: -82.639 bonds (distance) P-C4' energy: -71.900 flat angles C4'-P-C4' energy: -64.929 flat angles P-C4'-P energy: -31.065 tors. eta vs tors. theta energy: -5.792 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: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1619.918269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.918269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.918269 (E_RNA) where: Base-Base interactions energy: -1115.181 where: short stacking energy: -449.175 Base-Backbone interact. energy: -4.433 local terms energy: -500.304939 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -105.785 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -131.679 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: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1541.810309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.810309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.810309 (E_RNA) where: Base-Base interactions energy: -1067.537 where: short stacking energy: -445.169 Base-Backbone interact. energy: -1.676 local terms energy: -472.597876 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -89.103 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -68.701 tors. eta vs tors. theta energy: -126.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1507.566376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.566376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.566376 (E_RNA) where: Base-Base interactions energy: -1032.716 where: short stacking energy: -432.170 Base-Backbone interact. energy: -2.654 local terms energy: -472.196469 where: bonds (distance) C4'-P energy: -92.118 bonds (distance) P-C4' energy: -101.342 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -68.958 tors. eta vs tors. theta energy: -113.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1370.332675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.332675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.332675 (E_RNA) where: Base-Base interactions energy: -940.390 where: short stacking energy: -398.348 Base-Backbone interact. energy: -3.685 local terms energy: -426.257617 where: bonds (distance) C4'-P energy: -94.395 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -55.997 tors. eta vs tors. theta energy: -99.595 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: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1246.698029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.698029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.698029 (E_RNA) where: Base-Base interactions energy: -836.582 where: short stacking energy: -368.179 Base-Backbone interact. energy: 1.004 local terms energy: -411.120165 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -101.442 flat angles C4'-P-C4' energy: -81.424 flat angles P-C4'-P energy: -60.776 tors. eta vs tors. theta energy: -85.730 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: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1127.309382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.309382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.309382 (E_RNA) where: Base-Base interactions energy: -750.378 where: short stacking energy: -340.582 Base-Backbone interact. energy: -1.497 local terms energy: -375.434282 where: bonds (distance) C4'-P energy: -77.977 bonds (distance) P-C4' energy: -91.230 flat angles C4'-P-C4' energy: -84.517 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -73.337 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: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -999.488706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.488706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.488706 (E_RNA) where: Base-Base interactions energy: -650.529 where: short stacking energy: -297.322 Base-Backbone interact. energy: 1.784 local terms energy: -350.743089 where: bonds (distance) C4'-P energy: -72.729 bonds (distance) P-C4' energy: -72.353 flat angles C4'-P-C4' energy: -87.904 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -61.579 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -889.839885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.839885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.839885 (E_RNA) where: Base-Base interactions energy: -539.934 where: short stacking energy: -275.572 Base-Backbone interact. energy: -1.303 local terms energy: -348.602448 where: bonds (distance) C4'-P energy: -78.666 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -88.781 flat angles P-C4'-P energy: -46.558 tors. eta vs tors. theta energy: -49.994 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -730.327884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.327884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.327884 (E_RNA) where: Base-Base interactions energy: -432.192 where: short stacking energy: -206.462 Base-Backbone interact. energy: 1.480 local terms energy: -299.615357 where: bonds (distance) C4'-P energy: -78.025 bonds (distance) P-C4' energy: -74.856 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -23.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -510.273469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.273469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.273469 (E_RNA) where: Base-Base interactions energy: -213.775 where: short stacking energy: -135.879 Base-Backbone interact. energy: 4.441 local terms energy: -300.939561 where: bonds (distance) C4'-P energy: -86.655 bonds (distance) P-C4' energy: -97.914 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -40.420 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1601.318735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.318735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.318735 (E_RNA) where: Base-Base interactions energy: -1103.801 where: short stacking energy: -471.681 Base-Backbone interact. energy: -3.147 local terms energy: -494.371074 where: bonds (distance) C4'-P energy: -92.494 bonds (distance) P-C4' energy: -99.098 flat angles C4'-P-C4' energy: -96.862 flat angles P-C4'-P energy: -78.443 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: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1567.185258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.185258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.185258 (E_RNA) where: Base-Base interactions energy: -1089.368 where: short stacking energy: -459.873 Base-Backbone interact. energy: -1.708 local terms energy: -476.109375 where: bonds (distance) C4'-P energy: -89.568 bonds (distance) P-C4' energy: -97.008 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -65.836 tors. eta vs tors. theta energy: -125.887 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: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1498.119209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.119209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.119209 (E_RNA) where: Base-Base interactions energy: -1038.225 where: short stacking energy: -441.070 Base-Backbone interact. energy: 1.516 local terms energy: -461.410542 where: bonds (distance) C4'-P energy: -81.167 bonds (distance) P-C4' energy: -97.397 flat angles C4'-P-C4' energy: -102.538 flat angles P-C4'-P energy: -67.458 tors. eta vs tors. theta energy: -112.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1350.712191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.712191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.712191 (E_RNA) where: Base-Base interactions energy: -924.627 where: short stacking energy: -402.402 Base-Backbone interact. energy: -2.293 local terms energy: -423.792137 where: bonds (distance) C4'-P energy: -68.850 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -90.257 flat angles P-C4'-P energy: -72.696 tors. eta vs tors. theta energy: -95.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1314.058501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.058501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.058501 (E_RNA) where: Base-Base interactions energy: -904.561 where: short stacking energy: -409.068 Base-Backbone interact. energy: 0.344 local terms energy: -409.842076 where: bonds (distance) C4'-P energy: -89.747 bonds (distance) P-C4' energy: -84.232 flat angles C4'-P-C4' energy: -87.696 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: -91.648 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1182.429499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.429499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.429499 (E_RNA) where: Base-Base interactions energy: -775.002 where: short stacking energy: -345.075 Base-Backbone interact. energy: 4.930 local terms energy: -412.357801 where: bonds (distance) C4'-P energy: -86.672 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -89.177 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -80.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1009.432715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.432715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.432715 (E_RNA) where: Base-Base interactions energy: -637.188 where: short stacking energy: -303.860 Base-Backbone interact. energy: -0.695 local terms energy: -371.549530 where: bonds (distance) C4'-P energy: -94.576 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -88.915 flat angles P-C4'-P energy: -40.136 tors. eta vs tors. theta energy: -72.832 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: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -815.303606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.303606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.303606 (E_RNA) where: Base-Base interactions energy: -472.317 where: short stacking energy: -232.399 Base-Backbone interact. energy: -2.683 local terms energy: -340.303221 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -78.993 flat angles C4'-P-C4' energy: -73.944 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -44.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -614.462748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.462748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.462748 (E_RNA) where: Base-Base interactions energy: -335.628 where: short stacking energy: -165.898 Base-Backbone interact. energy: -2.056 local terms energy: -276.778241 where: bonds (distance) C4'-P energy: -80.050 bonds (distance) P-C4' energy: -79.505 flat angles C4'-P-C4' energy: -79.774 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -0.373 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: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -504.588147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.588147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.588147 (E_RNA) where: Base-Base interactions energy: -256.516 where: short stacking energy: -146.982 Base-Backbone interact. energy: -2.660 local terms energy: -245.412392 where: bonds (distance) C4'-P energy: -63.663 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -70.898 flat angles P-C4'-P energy: -30.268 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1600.966631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.966631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.966631 (E_RNA) where: Base-Base interactions energy: -1099.981 where: short stacking energy: -453.204 Base-Backbone interact. energy: -4.424 local terms energy: -496.561614 where: bonds (distance) C4'-P energy: -88.574 bonds (distance) P-C4' energy: -102.211 flat angles C4'-P-C4' energy: -98.188 flat angles P-C4'-P energy: -76.052 tors. eta vs tors. theta energy: -131.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1619.659430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.659430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.659430 (E_RNA) where: Base-Base interactions energy: -1133.281 where: short stacking energy: -463.699 Base-Backbone interact. energy: -1.356 local terms energy: -485.022592 where: bonds (distance) C4'-P energy: -85.735 bonds (distance) P-C4' energy: -92.947 flat angles C4'-P-C4' energy: -105.054 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -136.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1513.975386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.975386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.975386 (E_RNA) where: Base-Base interactions energy: -1039.103 where: short stacking energy: -408.353 Base-Backbone interact. energy: 0.256 local terms energy: -475.128777 where: bonds (distance) C4'-P energy: -96.284 bonds (distance) P-C4' energy: -98.597 flat angles C4'-P-C4' energy: -106.843 flat angles P-C4'-P energy: -64.472 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: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1347.110660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.110660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.110660 (E_RNA) where: Base-Base interactions energy: -897.284 where: short stacking energy: -385.548 Base-Backbone interact. energy: -1.692 local terms energy: -448.134579 where: bonds (distance) C4'-P energy: -101.523 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -96.019 flat angles P-C4'-P energy: -67.431 tors. eta vs tors. theta energy: -100.153 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: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1352.639432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.639432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.639432 (E_RNA) where: Base-Base interactions energy: -926.393 where: short stacking energy: -374.474 Base-Backbone interact. energy: -2.762 local terms energy: -423.483812 where: bonds (distance) C4'-P energy: -86.351 bonds (distance) P-C4' energy: -84.251 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -62.102 tors. eta vs tors. theta energy: -88.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1162.556445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.556445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.556445 (E_RNA) where: Base-Base interactions energy: -771.825 where: short stacking energy: -349.232 Base-Backbone interact. energy: -2.607 local terms energy: -388.124220 where: bonds (distance) C4'-P energy: -83.348 bonds (distance) P-C4' energy: -80.659 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -64.924 tors. eta vs tors. theta energy: -68.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -970.675073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.675073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.675073 (E_RNA) where: Base-Base interactions energy: -600.704 where: short stacking energy: -297.994 Base-Backbone interact. energy: 1.625 local terms energy: -371.595734 where: bonds (distance) C4'-P energy: -76.788 bonds (distance) P-C4' energy: -91.142 flat angles C4'-P-C4' energy: -89.961 flat angles P-C4'-P energy: -51.060 tors. eta vs tors. theta energy: -62.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -826.196123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.196123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.196123 (E_RNA) where: Base-Base interactions energy: -495.881 where: short stacking energy: -274.869 Base-Backbone interact. energy: 1.726 local terms energy: -332.040869 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -84.485 flat angles C4'-P-C4' energy: -79.335 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -47.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -624.544143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.544143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.544143 (E_RNA) where: Base-Base interactions energy: -334.337 where: short stacking energy: -202.983 Base-Backbone interact. energy: -0.818 local terms energy: -289.389269 where: bonds (distance) C4'-P energy: -77.050 bonds (distance) P-C4' energy: -80.967 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -38.236 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: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -495.212276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.212276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.212276 (E_RNA) where: Base-Base interactions energy: -274.225 where: short stacking energy: -154.553 Base-Backbone interact. energy: 0.643 local terms energy: -221.629783 where: bonds (distance) C4'-P energy: -44.375 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -66.786 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: 2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1616.364534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.364534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.364534 (E_RNA) where: Base-Base interactions energy: -1142.094 where: short stacking energy: -469.947 Base-Backbone interact. energy: -2.308 local terms energy: -471.963007 where: bonds (distance) C4'-P energy: -87.535 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -103.690 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -123.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1584.110611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.110611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.110611 (E_RNA) where: Base-Base interactions energy: -1107.380 where: short stacking energy: -481.630 Base-Backbone interact. energy: -0.634 local terms energy: -476.096176 where: bonds (distance) C4'-P energy: -96.868 bonds (distance) P-C4' energy: -90.684 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -124.764 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: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1504.092001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.092001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.092001 (E_RNA) where: Base-Base interactions energy: -1040.506 where: short stacking energy: -445.564 Base-Backbone interact. energy: -0.829 local terms energy: -462.757393 where: bonds (distance) C4'-P energy: -83.751 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -102.722 flat angles P-C4'-P energy: -70.938 tors. eta vs tors. theta energy: -116.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1295.460610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.460610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.460610 (E_RNA) where: Base-Base interactions energy: -873.036 where: short stacking energy: -389.877 Base-Backbone interact. energy: -1.329 local terms energy: -421.095241 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -93.601 flat angles C4'-P-C4' energy: -91.790 flat angles P-C4'-P energy: -63.138 tors. eta vs tors. theta energy: -88.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1325.177900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.177900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.177900 (E_RNA) where: Base-Base interactions energy: -910.271 where: short stacking energy: -387.211 Base-Backbone interact. energy: -0.426 local terms energy: -414.480376 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -83.564 flat angles C4'-P-C4' energy: -95.692 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -95.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1164.352353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.352353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.352353 (E_RNA) where: Base-Base interactions energy: -786.521 where: short stacking energy: -348.740 Base-Backbone interact. energy: -2.469 local terms energy: -375.362490 where: bonds (distance) C4'-P energy: -81.346 bonds (distance) P-C4' energy: -85.625 flat angles C4'-P-C4' energy: -76.582 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -80.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -959.065984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.065984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.065984 (E_RNA) where: Base-Base interactions energy: -606.246 where: short stacking energy: -266.261 Base-Backbone interact. energy: -0.662 local terms energy: -352.157583 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -91.896 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: -50.510 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: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -874.370896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.370896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.370896 (E_RNA) where: Base-Base interactions energy: -530.270 where: short stacking energy: -271.109 Base-Backbone interact. energy: 3.017 local terms energy: -347.117821 where: bonds (distance) C4'-P energy: -77.109 bonds (distance) P-C4' energy: -83.890 flat angles C4'-P-C4' energy: -81.889 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: -53.213 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: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -641.628568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.628568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.628568 (E_RNA) where: Base-Base interactions energy: -370.399 where: short stacking energy: -198.352 Base-Backbone interact. energy: -2.598 local terms energy: -268.632085 where: bonds (distance) C4'-P energy: -80.015 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -65.677 flat angles P-C4'-P energy: -26.022 tors. eta vs tors. theta energy: -12.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -533.529580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.529580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.529580 (E_RNA) where: Base-Base interactions energy: -264.107 where: short stacking energy: -191.732 Base-Backbone interact. energy: 0.204 local terms energy: -269.626102 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -80.381 flat angles C4'-P-C4' energy: -38.225 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -32.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1648.772361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.772361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.772361 (E_RNA) where: Base-Base interactions energy: -1145.260 where: short stacking energy: -480.216 Base-Backbone interact. energy: -2.410 local terms energy: -501.101813 where: bonds (distance) C4'-P energy: -98.801 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -112.779 flat angles P-C4'-P energy: -72.036 tors. eta vs tors. theta energy: -131.361 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: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1598.377117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.377117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.377117 (E_RNA) where: Base-Base interactions energy: -1100.712 where: short stacking energy: -479.974 Base-Backbone interact. energy: -0.774 local terms energy: -496.890812 where: bonds (distance) C4'-P energy: -95.016 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -95.277 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -137.580 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: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1505.772821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.772821 (E_RNA) where: Base-Base interactions energy: -1047.895 where: short stacking energy: -438.909 Base-Backbone interact. energy: -2.194 local terms energy: -455.684452 where: bonds (distance) C4'-P energy: -78.673 bonds (distance) P-C4' energy: -102.211 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -70.766 tors. eta vs tors. theta energy: -111.817 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: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1372.190578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.190578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.190578 (E_RNA) where: Base-Base interactions energy: -949.254 where: short stacking energy: -413.282 Base-Backbone interact. energy: -3.930 local terms energy: -419.007439 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -96.707 flat angles C4'-P-C4' energy: -85.885 flat angles P-C4'-P energy: -53.704 tors. eta vs tors. theta energy: -98.642 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: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1296.437212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.437212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.437212 (E_RNA) where: Base-Base interactions energy: -879.477 where: short stacking energy: -375.947 Base-Backbone interact. energy: -0.748 local terms energy: -416.212403 where: bonds (distance) C4'-P energy: -81.354 bonds (distance) P-C4' energy: -80.809 flat angles C4'-P-C4' energy: -83.313 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -103.835 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1157.635104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.635104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.635104 (E_RNA) where: Base-Base interactions energy: -784.998 where: short stacking energy: -330.576 Base-Backbone interact. energy: 4.623 local terms energy: -377.259847 where: bonds (distance) C4'-P energy: -73.891 bonds (distance) P-C4' energy: -97.617 flat angles C4'-P-C4' energy: -77.636 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -79.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -974.577780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.577780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.577780 (E_RNA) where: Base-Base interactions energy: -608.092 where: short stacking energy: -269.611 Base-Backbone interact. energy: 1.096 local terms energy: -367.581700 where: bonds (distance) C4'-P energy: -78.621 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -85.780 flat angles P-C4'-P energy: -62.135 tors. eta vs tors. theta energy: -55.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -863.692999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.692999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.692999 (E_RNA) where: Base-Base interactions energy: -511.663 where: short stacking energy: -235.085 Base-Backbone interact. energy: -2.029 local terms energy: -350.001848 where: bonds (distance) C4'-P energy: -76.602 bonds (distance) P-C4' energy: -79.805 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: -51.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -661.106501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.106501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.106501 (E_RNA) where: Base-Base interactions energy: -365.798 where: short stacking energy: -194.422 Base-Backbone interact. energy: 0.265 local terms energy: -295.573053 where: bonds (distance) C4'-P energy: -69.285 bonds (distance) P-C4' energy: -96.900 flat angles C4'-P-C4' energy: -62.718 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: -14.969 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: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -476.487213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.487213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.487213 (E_RNA) where: Base-Base interactions energy: -235.142 where: short stacking energy: -154.286 Base-Backbone interact. energy: -0.988 local terms energy: -240.357441 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -40.258 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: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1628.586064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.586064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.586064 (E_RNA) where: Base-Base interactions energy: -1120.937 where: short stacking energy: -486.977 Base-Backbone interact. energy: -1.661 local terms energy: -505.987783 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -105.995 flat angles C4'-P-C4' energy: -115.985 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -128.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1590.426598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.426598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.426598 (E_RNA) where: Base-Base interactions energy: -1113.966 where: short stacking energy: -466.500 Base-Backbone interact. energy: -1.391 local terms energy: -475.069873 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -106.717 flat angles P-C4'-P energy: -64.815 tors. eta vs tors. theta energy: -132.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1513.198360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.198360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.198360 (E_RNA) where: Base-Base interactions energy: -1065.656 where: short stacking energy: -450.789 Base-Backbone interact. energy: -2.552 local terms energy: -444.989957 where: bonds (distance) C4'-P energy: -74.123 bonds (distance) P-C4' energy: -98.219 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -103.338 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: 76 Temperature: 1.050000 Total energy: -1389.635983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.635983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.635983 (E_RNA) where: Base-Base interactions energy: -958.982 where: short stacking energy: -417.215 Base-Backbone interact. energy: -1.740 local terms energy: -428.913811 where: bonds (distance) C4'-P energy: -72.627 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -102.855 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -109.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1279.430976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.430976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.430976 (E_RNA) where: Base-Base interactions energy: -855.441 where: short stacking energy: -365.525 Base-Backbone interact. energy: -4.055 local terms energy: -419.935125 where: bonds (distance) C4'-P energy: -80.123 bonds (distance) P-C4' energy: -92.204 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -62.567 tors. eta vs tors. theta energy: -97.873 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: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1181.236602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.236602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.236602 (E_RNA) where: Base-Base interactions energy: -796.500 where: short stacking energy: -344.736 Base-Backbone interact. energy: 2.783 local terms energy: -387.519678 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -89.169 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: -83.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -986.129334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.129334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.129334 (E_RNA) where: Base-Base interactions energy: -634.105 where: short stacking energy: -263.089 Base-Backbone interact. energy: -1.131 local terms energy: -350.893979 where: bonds (distance) C4'-P energy: -86.738 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -85.243 flat angles P-C4'-P energy: -46.159 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: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -839.147421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.147421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.147421 (E_RNA) where: Base-Base interactions energy: -500.575 where: short stacking energy: -235.870 Base-Backbone interact. energy: 0.130 local terms energy: -338.701703 where: bonds (distance) C4'-P energy: -88.772 bonds (distance) P-C4' energy: -96.910 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -44.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -672.959099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.959099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.959099 (E_RNA) where: Base-Base interactions energy: -378.595 where: short stacking energy: -189.780 Base-Backbone interact. energy: 5.871 local terms energy: -300.235291 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -21.134 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: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -457.087505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.087505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.087505 (E_RNA) where: Base-Base interactions energy: -201.777 where: short stacking energy: -133.115 Base-Backbone interact. energy: 3.056 local terms energy: -258.366040 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -57.271 flat angles P-C4'-P energy: -46.462 tors. eta vs tors. theta energy: 6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1658.108943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.108943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.108943 (E_RNA) where: Base-Base interactions energy: -1144.212 where: short stacking energy: -503.742 Base-Backbone interact. energy: -1.679 local terms energy: -512.217123 where: bonds (distance) C4'-P energy: -99.953 bonds (distance) P-C4' energy: -90.725 flat angles C4'-P-C4' energy: -108.174 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -136.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1606.091505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.091505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.091505 (E_RNA) where: Base-Base interactions energy: -1120.031 where: short stacking energy: -465.756 Base-Backbone interact. energy: -3.367 local terms energy: -482.694084 where: bonds (distance) C4'-P energy: -99.169 bonds (distance) P-C4' energy: -96.554 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -65.989 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: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1541.710835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.710835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.710835 (E_RNA) where: Base-Base interactions energy: -1076.790 where: short stacking energy: -445.773 Base-Backbone interact. energy: -3.656 local terms energy: -461.264499 where: bonds (distance) C4'-P energy: -82.530 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -99.388 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -117.959 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: 77 Temperature: 1.050000 Total energy: -1393.437743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.437743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.437743 (E_RNA) where: Base-Base interactions energy: -922.114 where: short stacking energy: -422.249 Base-Backbone interact. energy: -4.033 local terms energy: -467.290845 where: bonds (distance) C4'-P energy: -83.839 bonds (distance) P-C4' energy: -94.072 flat angles C4'-P-C4' energy: -107.712 flat angles P-C4'-P energy: -72.298 tors. eta vs tors. theta energy: -109.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1277.336385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.336385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.336385 (E_RNA) where: Base-Base interactions energy: -858.534 where: short stacking energy: -370.077 Base-Backbone interact. energy: -1.458 local terms energy: -417.344996 where: bonds (distance) C4'-P energy: -82.569 bonds (distance) P-C4' energy: -82.526 flat angles C4'-P-C4' energy: -93.405 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -90.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1204.046427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.046427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.046427 (E_RNA) where: Base-Base interactions energy: -798.165 where: short stacking energy: -344.554 Base-Backbone interact. energy: 1.138 local terms energy: -407.018811 where: bonds (distance) C4'-P energy: -81.906 bonds (distance) P-C4' energy: -92.873 flat angles C4'-P-C4' energy: -100.806 flat angles P-C4'-P energy: -46.121 tors. eta vs tors. theta energy: -85.313 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: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -932.736071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.736071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.736071 (E_RNA) where: Base-Base interactions energy: -603.391 where: short stacking energy: -288.345 Base-Backbone interact. energy: 1.418 local terms energy: -330.762960 where: bonds (distance) C4'-P energy: -72.901 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -61.993 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -59.311 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: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -841.474802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.474802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.474802 (E_RNA) where: Base-Base interactions energy: -515.323 where: short stacking energy: -269.615 Base-Backbone interact. energy: 3.734 local terms energy: -329.885662 where: bonds (distance) C4'-P energy: -80.822 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -72.791 flat angles P-C4'-P energy: -58.095 tors. eta vs tors. theta energy: -47.339 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: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -658.285519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.285519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.285519 (E_RNA) where: Base-Base interactions energy: -366.777 where: short stacking energy: -212.964 Base-Backbone interact. energy: 2.734 local terms energy: -294.242582 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -75.324 flat angles C4'-P-C4' energy: -84.213 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -19.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -506.079769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.079769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.079769 (E_RNA) where: Base-Base interactions energy: -253.460 where: short stacking energy: -154.475 Base-Backbone interact. energy: -1.483 local terms energy: -251.136743 where: bonds (distance) C4'-P energy: -63.138 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -74.241 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: 1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1635.925213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.925213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.925213 (E_RNA) where: Base-Base interactions energy: -1145.105 where: short stacking energy: -495.605 Base-Backbone interact. energy: -2.235 local terms energy: -488.585338 where: bonds (distance) C4'-P energy: -88.965 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -102.794 flat angles P-C4'-P energy: -59.305 tors. eta vs tors. theta energy: -140.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1569.862483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.862483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.862483 (E_RNA) where: Base-Base interactions energy: -1096.995 where: short stacking energy: -450.059 Base-Backbone interact. energy: 0.730 local terms energy: -473.597996 where: bonds (distance) C4'-P energy: -88.794 bonds (distance) P-C4' energy: -90.388 flat angles C4'-P-C4' energy: -101.702 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -121.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1514.135790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.135790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.135790 (E_RNA) where: Base-Base interactions energy: -1067.442 where: short stacking energy: -442.762 Base-Backbone interact. energy: -2.589 local terms energy: -444.104654 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -84.548 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -112.419 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: 78 Temperature: 1.050000 Total energy: -1361.863181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.863181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.863181 (E_RNA) where: Base-Base interactions energy: -954.478 where: short stacking energy: -394.423 Base-Backbone interact. energy: -1.088 local terms energy: -406.297373 where: bonds (distance) C4'-P energy: -85.525 bonds (distance) P-C4' energy: -85.008 flat angles C4'-P-C4' energy: -81.727 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -107.251 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: 78 Temperature: 1.100000 Total energy: -1295.635341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.635341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.635341 (E_RNA) where: Base-Base interactions energy: -883.635 where: short stacking energy: -391.403 Base-Backbone interact. energy: 0.770 local terms energy: -412.770248 where: bonds (distance) C4'-P energy: -86.933 bonds (distance) P-C4' energy: -83.588 flat angles C4'-P-C4' energy: -88.828 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -90.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1190.063677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.063677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.063677 (E_RNA) where: Base-Base interactions energy: -811.931 where: short stacking energy: -360.034 Base-Backbone interact. energy: 0.180 local terms energy: -378.312354 where: bonds (distance) C4'-P energy: -90.654 bonds (distance) P-C4' energy: -82.968 flat angles C4'-P-C4' energy: -82.016 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -72.724 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: 78 Temperature: 1.200000 Total energy: -942.787587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.787587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.787587 (E_RNA) where: Base-Base interactions energy: -605.407 where: short stacking energy: -260.491 Base-Backbone interact. energy: -1.825 local terms energy: -335.555584 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -67.683 flat angles C4'-P-C4' energy: -82.765 flat angles P-C4'-P energy: -63.310 tors. eta vs tors. theta energy: -43.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -899.886795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.886795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.886795 (E_RNA) where: Base-Base interactions energy: -594.582 where: short stacking energy: -275.278 Base-Backbone interact. energy: -1.229 local terms energy: -304.075212 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -31.744 tors. eta vs tors. theta energy: -44.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -671.023695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.023695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.023695 (E_RNA) where: Base-Base interactions energy: -372.953 where: short stacking energy: -185.103 Base-Backbone interact. energy: -0.720 local terms energy: -297.349854 where: bonds (distance) C4'-P energy: -78.255 bonds (distance) P-C4' energy: -91.083 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -43.416 tors. eta vs tors. theta energy: -20.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -533.518963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.518963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.518963 (E_RNA) where: Base-Base interactions energy: -266.977 where: short stacking energy: -178.948 Base-Backbone interact. energy: -0.652 local terms energy: -265.889453 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -72.653 flat angles P-C4'-P energy: -33.480 tors. eta vs tors. theta energy: -10.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1633.060520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.060520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.060520 (E_RNA) where: Base-Base interactions energy: -1120.784 where: short stacking energy: -483.935 Base-Backbone interact. energy: -2.124 local terms energy: -510.153277 where: bonds (distance) C4'-P energy: -100.309 bonds (distance) P-C4' energy: -92.822 flat angles C4'-P-C4' energy: -109.791 flat angles P-C4'-P energy: -76.315 tors. eta vs tors. theta energy: -130.916 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: 79 Temperature: 0.950000 Total energy: -1570.457924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.457924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.457924 (E_RNA) where: Base-Base interactions energy: -1089.216 where: short stacking energy: -443.293 Base-Backbone interact. energy: 1.190 local terms energy: -482.431796 where: bonds (distance) C4'-P energy: -96.040 bonds (distance) P-C4' energy: -81.489 flat angles C4'-P-C4' energy: -106.545 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -118.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1484.870440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.870440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.870440 (E_RNA) where: Base-Base interactions energy: -1034.644 where: short stacking energy: -435.408 Base-Backbone interact. energy: 0.566 local terms energy: -450.792876 where: bonds (distance) C4'-P energy: -84.587 bonds (distance) P-C4' energy: -92.244 flat angles C4'-P-C4' energy: -104.096 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -108.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1356.638728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.638728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.638728 (E_RNA) where: Base-Base interactions energy: -938.511 where: short stacking energy: -387.342 Base-Backbone interact. energy: 1.087 local terms energy: -419.214527 where: bonds (distance) C4'-P energy: -82.141 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -97.444 flat angles P-C4'-P energy: -60.856 tors. eta vs tors. theta energy: -93.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1242.622822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.622822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.622822 (E_RNA) where: Base-Base interactions energy: -815.199 where: short stacking energy: -360.902 Base-Backbone interact. energy: -3.483 local terms energy: -423.940235 where: bonds (distance) C4'-P energy: -93.312 bonds (distance) P-C4' energy: -94.973 flat angles C4'-P-C4' energy: -90.342 flat angles P-C4'-P energy: -53.030 tors. eta vs tors. theta energy: -92.283 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: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1217.397798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.397798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.397798 (E_RNA) where: Base-Base interactions energy: -791.833 where: short stacking energy: -371.859 Base-Backbone interact. energy: -2.237 local terms energy: -423.328216 where: bonds (distance) C4'-P energy: -87.042 bonds (distance) P-C4' energy: -85.406 flat angles C4'-P-C4' energy: -95.863 flat angles P-C4'-P energy: -60.083 tors. eta vs tors. theta energy: -94.935 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: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -964.303442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.303442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.303442 (E_RNA) where: Base-Base interactions energy: -584.565 where: short stacking energy: -290.894 Base-Backbone interact. energy: 0.723 local terms energy: -380.460502 where: bonds (distance) C4'-P energy: -89.820 bonds (distance) P-C4' energy: -95.258 flat angles C4'-P-C4' energy: -67.145 flat angles P-C4'-P energy: -57.765 tors. eta vs tors. theta energy: -70.472 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: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -952.382227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.382227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.382227 (E_RNA) where: Base-Base interactions energy: -616.314 where: short stacking energy: -293.453 Base-Backbone interact. energy: 1.004 local terms energy: -337.071688 where: bonds (distance) C4'-P energy: -81.526 bonds (distance) P-C4' energy: -80.300 flat angles C4'-P-C4' energy: -70.107 flat angles P-C4'-P energy: -62.793 tors. eta vs tors. theta energy: -42.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -694.045739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.045739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.045739 (E_RNA) where: Base-Base interactions energy: -406.362 where: short stacking energy: -219.027 Base-Backbone interact. energy: -0.463 local terms energy: -287.220108 where: bonds (distance) C4'-P energy: -63.857 bonds (distance) P-C4' energy: -82.546 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -30.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -486.462748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.462748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.462748 (E_RNA) where: Base-Base interactions energy: -230.761 where: short stacking energy: -164.599 Base-Backbone interact. energy: 3.387 local terms energy: -259.088180 where: bonds (distance) C4'-P energy: -87.849 bonds (distance) P-C4' energy: -78.392 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: -4.299 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: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1623.416856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.416856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.416856 (E_RNA) where: Base-Base interactions energy: -1145.074 where: short stacking energy: -501.009 Base-Backbone interact. energy: -2.794 local terms energy: -475.549079 where: bonds (distance) C4'-P energy: -76.904 bonds (distance) P-C4' energy: -82.314 flat angles C4'-P-C4' energy: -111.492 flat angles P-C4'-P energy: -70.792 tors. eta vs tors. theta energy: -134.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1580.639769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.639769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.639769 (E_RNA) where: Base-Base interactions energy: -1107.210 where: short stacking energy: -434.588 Base-Backbone interact. energy: -2.632 local terms energy: -470.797424 where: bonds (distance) C4'-P energy: -88.146 bonds (distance) P-C4' energy: -83.911 flat angles C4'-P-C4' energy: -110.699 flat angles P-C4'-P energy: -73.597 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: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1504.536696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.536696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.536696 (E_RNA) where: Base-Base interactions energy: -1043.158 where: short stacking energy: -453.710 Base-Backbone interact. energy: -4.072 local terms energy: -457.306580 where: bonds (distance) C4'-P energy: -69.323 bonds (distance) P-C4' energy: -93.480 flat angles C4'-P-C4' energy: -104.070 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -119.657 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: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1385.732636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.732636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.732636 (E_RNA) where: Base-Base interactions energy: -943.243 where: short stacking energy: -392.820 Base-Backbone interact. energy: -0.401 local terms energy: -442.088882 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -85.276 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -97.954 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1292.536343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.536343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.536343 (E_RNA) where: Base-Base interactions energy: -865.990 where: short stacking energy: -387.262 Base-Backbone interact. energy: -3.383 local terms energy: -423.163217 where: bonds (distance) C4'-P energy: -82.256 bonds (distance) P-C4' energy: -91.237 flat angles C4'-P-C4' energy: -98.930 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: -90.097 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: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1204.501631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.501631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.501631 (E_RNA) where: Base-Base interactions energy: -808.486 where: short stacking energy: -348.283 Base-Backbone interact. energy: 3.045 local terms energy: -399.060248 where: bonds (distance) C4'-P energy: -68.800 bonds (distance) P-C4' energy: -95.944 flat angles C4'-P-C4' energy: -86.796 flat angles P-C4'-P energy: -58.654 tors. eta vs tors. theta energy: -88.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -963.573864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.573864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.573864 (E_RNA) where: Base-Base interactions energy: -611.710 where: short stacking energy: -276.603 Base-Backbone interact. energy: 3.202 local terms energy: -355.065719 where: bonds (distance) C4'-P energy: -80.862 bonds (distance) P-C4' energy: -86.736 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -58.697 tors. eta vs tors. theta energy: -51.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -940.571881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.571881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.571881 (E_RNA) where: Base-Base interactions energy: -597.999 where: short stacking energy: -274.538 Base-Backbone interact. energy: 2.453 local terms energy: -345.025262 where: bonds (distance) C4'-P energy: -74.326 bonds (distance) P-C4' energy: -87.762 flat angles C4'-P-C4' energy: -85.868 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -43.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -709.757885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.757885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.757885 (E_RNA) where: Base-Base interactions energy: -437.474 where: short stacking energy: -226.308 Base-Backbone interact. energy: 0.622 local terms energy: -272.905790 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -73.406 flat angles C4'-P-C4' energy: -65.380 flat angles P-C4'-P energy: -52.036 tors. eta vs tors. theta energy: -22.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -478.412563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.412563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.412563 (E_RNA) where: Base-Base interactions energy: -236.139 where: short stacking energy: -128.157 Base-Backbone interact. energy: 7.425 local terms energy: -249.698820 where: bonds (distance) C4'-P energy: -74.929 bonds (distance) P-C4' energy: -83.621 flat angles C4'-P-C4' energy: -41.004 flat angles P-C4'-P energy: -52.984 tors. eta vs tors. theta energy: 2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1635.231894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.231894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.231894 (E_RNA) where: Base-Base interactions energy: -1139.248 where: short stacking energy: -495.595 Base-Backbone interact. energy: -3.642 local terms energy: -492.341861 where: bonds (distance) C4'-P energy: -85.854 bonds (distance) P-C4' energy: -89.588 flat angles C4'-P-C4' energy: -105.166 flat angles P-C4'-P energy: -72.668 tors. eta vs tors. theta energy: -139.065 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: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1557.902904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.902904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.902904 (E_RNA) where: Base-Base interactions energy: -1082.757 where: short stacking energy: -439.120 Base-Backbone interact. energy: -2.279 local terms energy: -472.866907 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -93.325 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -69.127 tors. eta vs tors. theta energy: -112.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1516.548084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.548084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.548084 (E_RNA) where: Base-Base interactions energy: -1043.605 where: short stacking energy: -448.474 Base-Backbone interact. energy: -1.578 local terms energy: -471.365416 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -100.139 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -119.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1333.019869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.019869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.019869 (E_RNA) where: Base-Base interactions energy: -884.705 where: short stacking energy: -415.529 Base-Backbone interact. energy: -2.260 local terms energy: -446.054476 where: bonds (distance) C4'-P energy: -91.054 bonds (distance) P-C4' energy: -91.490 flat angles C4'-P-C4' energy: -94.136 flat angles P-C4'-P energy: -59.773 tors. eta vs tors. theta energy: -109.601 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: 81 Temperature: 1.100000 Total energy: -1300.745329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.745329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.745329 (E_RNA) where: Base-Base interactions energy: -875.556 where: short stacking energy: -381.748 Base-Backbone interact. energy: -3.243 local terms energy: -421.945870 where: bonds (distance) C4'-P energy: -82.914 bonds (distance) P-C4' energy: -93.441 flat angles C4'-P-C4' energy: -97.540 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -90.049 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: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1160.526905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.526905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.526905 (E_RNA) where: Base-Base interactions energy: -780.038 where: short stacking energy: -335.218 Base-Backbone interact. energy: -4.369 local terms energy: -376.119270 where: bonds (distance) C4'-P energy: -77.138 bonds (distance) P-C4' energy: -84.368 flat angles C4'-P-C4' energy: -93.525 flat angles P-C4'-P energy: -47.730 tors. eta vs tors. theta energy: -73.358 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -933.578340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.578340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.578340 (E_RNA) where: Base-Base interactions energy: -575.022 where: short stacking energy: -278.311 Base-Backbone interact. energy: -1.581 local terms energy: -356.974828 where: bonds (distance) C4'-P energy: -83.028 bonds (distance) P-C4' energy: -90.380 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -53.217 tors. eta vs tors. theta energy: -57.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -915.570045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.570045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.570045 (E_RNA) where: Base-Base interactions energy: -584.990 where: short stacking energy: -281.232 Base-Backbone interact. energy: 2.109 local terms energy: -332.689232 where: bonds (distance) C4'-P energy: -75.184 bonds (distance) P-C4' energy: -81.513 flat angles C4'-P-C4' energy: -68.696 flat angles P-C4'-P energy: -47.938 tors. eta vs tors. theta energy: -59.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -759.667460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.667460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.667460 (E_RNA) where: Base-Base interactions energy: -465.173 where: short stacking energy: -223.437 Base-Backbone interact. energy: -1.109 local terms energy: -293.384919 where: bonds (distance) C4'-P energy: -69.827 bonds (distance) P-C4' energy: -86.769 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -35.163 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: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -443.373781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.373781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.373781 (E_RNA) where: Base-Base interactions energy: -167.005 where: short stacking energy: -117.604 Base-Backbone interact. energy: 6.608 local terms energy: -282.976563 where: bonds (distance) C4'-P energy: -71.006 bonds (distance) P-C4' energy: -83.855 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1655.452671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.452671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.452671 (E_RNA) where: Base-Base interactions energy: -1159.386 where: short stacking energy: -488.766 Base-Backbone interact. energy: -2.512 local terms energy: -493.554191 where: bonds (distance) C4'-P energy: -98.024 bonds (distance) P-C4' energy: -95.330 flat angles C4'-P-C4' energy: -102.994 flat angles P-C4'-P energy: -69.158 tors. eta vs tors. theta energy: -128.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1551.724152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.724152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.724152 (E_RNA) where: Base-Base interactions energy: -1075.814 where: short stacking energy: -446.676 Base-Backbone interact. energy: -1.184 local terms energy: -474.726385 where: bonds (distance) C4'-P energy: -82.859 bonds (distance) P-C4' energy: -97.071 flat angles C4'-P-C4' energy: -104.176 flat angles P-C4'-P energy: -70.874 tors. eta vs tors. theta energy: -119.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1490.485137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.485137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.485137 (E_RNA) where: Base-Base interactions energy: -1019.032 where: short stacking energy: -438.112 Base-Backbone interact. energy: -3.445 local terms energy: -468.007704 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -100.775 flat angles C4'-P-C4' energy: -97.729 flat angles P-C4'-P energy: -69.184 tors. eta vs tors. theta energy: -118.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1382.574887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.574887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.574887 (E_RNA) where: Base-Base interactions energy: -924.492 where: short stacking energy: -427.607 Base-Backbone interact. energy: -2.438 local terms energy: -455.645736 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -94.550 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -118.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1257.898367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.898367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.898367 (E_RNA) where: Base-Base interactions energy: -843.986 where: short stacking energy: -386.142 Base-Backbone interact. energy: -4.177 local terms energy: -409.734903 where: bonds (distance) C4'-P energy: -76.970 bonds (distance) P-C4' energy: -84.888 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -101.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1152.406730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.406730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.406730 (E_RNA) where: Base-Base interactions energy: -765.189 where: short stacking energy: -329.464 Base-Backbone interact. energy: -3.559 local terms energy: -383.658754 where: bonds (distance) C4'-P energy: -85.081 bonds (distance) P-C4' energy: -79.531 flat angles C4'-P-C4' energy: -94.779 flat angles P-C4'-P energy: -60.392 tors. eta vs tors. theta energy: -63.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -922.601335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.601335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.601335 (E_RNA) where: Base-Base interactions energy: -576.020 where: short stacking energy: -260.244 Base-Backbone interact. energy: 0.876 local terms energy: -347.457637 where: bonds (distance) C4'-P energy: -62.813 bonds (distance) P-C4' energy: -79.446 flat angles C4'-P-C4' energy: -101.441 flat angles P-C4'-P energy: -70.027 tors. eta vs tors. theta energy: -33.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -878.130838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.130838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.130838 (E_RNA) where: Base-Base interactions energy: -525.242 where: short stacking energy: -271.738 Base-Backbone interact. energy: -1.478 local terms energy: -351.410800 where: bonds (distance) C4'-P energy: -79.128 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -84.107 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -55.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -775.484416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.484416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.484416 (E_RNA) where: Base-Base interactions energy: -462.776 where: short stacking energy: -241.079 Base-Backbone interact. energy: -0.939 local terms energy: -311.770166 where: bonds (distance) C4'-P energy: -71.981 bonds (distance) P-C4' energy: -71.166 flat angles C4'-P-C4' energy: -76.473 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -33.629 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: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -465.220389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.220389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.220389 (E_RNA) where: Base-Base interactions energy: -180.647 where: short stacking energy: -120.905 Base-Backbone interact. energy: 0.387 local terms energy: -284.959865 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: 10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1631.015191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.015191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.015191 (E_RNA) where: Base-Base interactions energy: -1117.678 where: short stacking energy: -473.181 Base-Backbone interact. energy: 0.488 local terms energy: -513.825042 where: bonds (distance) C4'-P energy: -95.235 bonds (distance) P-C4' energy: -96.899 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -82.549 tors. eta vs tors. theta energy: -129.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1581.076385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.076385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.076385 (E_RNA) where: Base-Base interactions energy: -1093.115 where: short stacking energy: -438.968 Base-Backbone interact. energy: -3.172 local terms energy: -484.789822 where: bonds (distance) C4'-P energy: -88.502 bonds (distance) P-C4' energy: -96.750 flat angles C4'-P-C4' energy: -105.765 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -123.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1470.139111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.139111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.139111 (E_RNA) where: Base-Base interactions energy: -1011.783 where: short stacking energy: -421.349 Base-Backbone interact. energy: -1.734 local terms energy: -456.621897 where: bonds (distance) C4'-P energy: -93.572 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -100.864 flat angles P-C4'-P energy: -68.355 tors. eta vs tors. theta energy: -101.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1396.497921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.497921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.497921 (E_RNA) where: Base-Base interactions energy: -978.780 where: short stacking energy: -420.207 Base-Backbone interact. energy: 0.903 local terms energy: -418.620058 where: bonds (distance) C4'-P energy: -72.839 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -98.333 flat angles P-C4'-P energy: -54.265 tors. eta vs tors. theta energy: -111.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1288.650836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.650836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.650836 (E_RNA) where: Base-Base interactions energy: -905.274 where: short stacking energy: -399.640 Base-Backbone interact. energy: -4.906 local terms energy: -378.470799 where: bonds (distance) C4'-P energy: -80.256 bonds (distance) P-C4' energy: -88.567 flat angles C4'-P-C4' energy: -83.992 flat angles P-C4'-P energy: -49.810 tors. eta vs tors. theta energy: -75.847 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: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1122.741799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.741799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.741799 (E_RNA) where: Base-Base interactions energy: -754.701 where: short stacking energy: -348.869 Base-Backbone interact. energy: -1.458 local terms energy: -366.583190 where: bonds (distance) C4'-P energy: -73.582 bonds (distance) P-C4' energy: -83.105 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -66.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -960.306507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.306507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.306507 (E_RNA) where: Base-Base interactions energy: -627.655 where: short stacking energy: -281.289 Base-Backbone interact. energy: 3.550 local terms energy: -336.202279 where: bonds (distance) C4'-P energy: -76.832 bonds (distance) P-C4' energy: -92.653 flat angles C4'-P-C4' energy: -65.093 flat angles P-C4'-P energy: -50.532 tors. eta vs tors. theta energy: -51.092 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: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -869.930999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.930999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.930999 (E_RNA) where: Base-Base interactions energy: -527.117 where: short stacking energy: -253.593 Base-Backbone interact. energy: -0.407 local terms energy: -342.406690 where: bonds (distance) C4'-P energy: -71.613 bonds (distance) P-C4' energy: -77.056 flat angles C4'-P-C4' energy: -89.319 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -51.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -783.549090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.549090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.549090 (E_RNA) where: Base-Base interactions energy: -462.424 where: short stacking energy: -228.804 Base-Backbone interact. energy: -1.127 local terms energy: -319.998388 where: bonds (distance) C4'-P energy: -68.439 bonds (distance) P-C4' energy: -90.829 flat angles C4'-P-C4' energy: -64.500 flat angles P-C4'-P energy: -56.217 tors. eta vs tors. theta energy: -40.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -461.641428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.641428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.641428 (E_RNA) where: Base-Base interactions energy: -199.763 where: short stacking energy: -139.143 Base-Backbone interact. energy: 1.335 local terms energy: -263.213094 where: bonds (distance) C4'-P energy: -75.943 bonds (distance) P-C4' energy: -88.881 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -27.955 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1657.684229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.684229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.684229 (E_RNA) where: Base-Base interactions energy: -1159.876 where: short stacking energy: -483.279 Base-Backbone interact. energy: -1.431 local terms energy: -496.377823 where: bonds (distance) C4'-P energy: -92.089 bonds (distance) P-C4' energy: -102.899 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -75.833 tors. eta vs tors. theta energy: -124.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1587.107658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.107658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.107658 (E_RNA) where: Base-Base interactions energy: -1097.714 where: short stacking energy: -461.801 Base-Backbone interact. energy: 1.070 local terms energy: -490.462719 where: bonds (distance) C4'-P energy: -94.300 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -105.730 flat angles P-C4'-P energy: -68.513 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: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1523.110825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.110825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.110825 (E_RNA) where: Base-Base interactions energy: -1069.407 where: short stacking energy: -457.578 Base-Backbone interact. energy: 0.735 local terms energy: -454.438830 where: bonds (distance) C4'-P energy: -80.721 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -97.499 flat angles P-C4'-P energy: -71.815 tors. eta vs tors. theta energy: -119.785 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1386.572227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.572227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.572227 (E_RNA) where: Base-Base interactions energy: -943.668 where: short stacking energy: -391.634 Base-Backbone interact. energy: -0.016 local terms energy: -442.888129 where: bonds (distance) C4'-P energy: -91.055 bonds (distance) P-C4' energy: -93.013 flat angles C4'-P-C4' energy: -90.281 flat angles P-C4'-P energy: -73.652 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: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1278.382821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.382821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.382821 (E_RNA) where: Base-Base interactions energy: -879.824 where: short stacking energy: -341.935 Base-Backbone interact. energy: -3.647 local terms energy: -394.911749 where: bonds (distance) C4'-P energy: -85.863 bonds (distance) P-C4' energy: -83.974 flat angles C4'-P-C4' energy: -102.082 flat angles P-C4'-P energy: -53.032 tors. eta vs tors. theta energy: -69.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1121.285556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.285556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.285556 (E_RNA) where: Base-Base interactions energy: -738.120 where: short stacking energy: -313.841 Base-Backbone interact. energy: 2.537 local terms energy: -385.702589 where: bonds (distance) C4'-P energy: -82.512 bonds (distance) P-C4' energy: -84.484 flat angles C4'-P-C4' energy: -97.756 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -61.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -987.908802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.908802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.908802 (E_RNA) where: Base-Base interactions energy: -643.408 where: short stacking energy: -288.712 Base-Backbone interact. energy: -2.089 local terms energy: -342.412657 where: bonds (distance) C4'-P energy: -80.174 bonds (distance) P-C4' energy: -88.434 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: -57.703 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: 84 Temperature: 1.250000 Total energy: -925.825636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.825636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.825636 (E_RNA) where: Base-Base interactions energy: -542.919 where: short stacking energy: -269.794 Base-Backbone interact. energy: -2.168 local terms energy: -380.738739 where: bonds (distance) C4'-P energy: -86.522 bonds (distance) P-C4' energy: -97.260 flat angles C4'-P-C4' energy: -73.325 flat angles P-C4'-P energy: -64.251 tors. eta vs tors. theta energy: -59.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -787.587905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.587905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.587905 (E_RNA) where: Base-Base interactions energy: -477.552 where: short stacking energy: -235.376 Base-Backbone interact. energy: -2.586 local terms energy: -307.450742 where: bonds (distance) C4'-P energy: -57.609 bonds (distance) P-C4' energy: -73.001 flat angles C4'-P-C4' energy: -88.682 flat angles P-C4'-P energy: -52.751 tors. eta vs tors. theta energy: -35.408 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: 84 Temperature: 1.350000 Total energy: -463.690619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.690619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.690619 (E_RNA) where: Base-Base interactions energy: -194.481 where: short stacking energy: -137.774 Base-Backbone interact. energy: 3.774 local terms energy: -272.983469 where: bonds (distance) C4'-P energy: -82.898 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -72.834 flat angles P-C4'-P energy: -55.455 tors. eta vs tors. theta energy: 0.322 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: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1637.062898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.062898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.062898 (E_RNA) where: Base-Base interactions energy: -1152.598 where: short stacking energy: -493.510 Base-Backbone interact. energy: -2.145 local terms energy: -482.319796 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -92.993 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -131.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1570.354934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.354934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.354934 (E_RNA) where: Base-Base interactions energy: -1060.965 where: short stacking energy: -489.708 Base-Backbone interact. energy: -1.181 local terms energy: -508.209063 where: bonds (distance) C4'-P energy: -93.739 bonds (distance) P-C4' energy: -100.826 flat angles C4'-P-C4' energy: -110.244 flat angles P-C4'-P energy: -73.046 tors. eta vs tors. theta energy: -130.355 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: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1539.409437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.409437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.409437 (E_RNA) where: Base-Base interactions energy: -1071.435 where: short stacking energy: -440.032 Base-Backbone interact. energy: 1.083 local terms energy: -469.057014 where: bonds (distance) C4'-P energy: -91.805 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -106.604 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -130.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1397.092977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.092977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.092977 (E_RNA) where: Base-Base interactions energy: -938.477 where: short stacking energy: -416.064 Base-Backbone interact. energy: 2.290 local terms energy: -460.906184 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -93.981 flat angles C4'-P-C4' energy: -97.797 flat angles P-C4'-P energy: -68.384 tors. eta vs tors. theta energy: -120.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1324.222870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.222870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.222870 (E_RNA) where: Base-Base interactions energy: -915.452 where: short stacking energy: -387.934 Base-Backbone interact. energy: -1.937 local terms energy: -406.834175 where: bonds (distance) C4'-P energy: -80.643 bonds (distance) P-C4' energy: -84.805 flat angles C4'-P-C4' energy: -94.943 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -95.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1153.206658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.206658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.206658 (E_RNA) where: Base-Base interactions energy: -749.320 where: short stacking energy: -335.269 Base-Backbone interact. energy: -1.238 local terms energy: -402.648439 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -82.751 flat angles P-C4'-P energy: -61.846 tors. eta vs tors. theta energy: -89.518 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: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -987.106695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.106695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.106695 (E_RNA) where: Base-Base interactions energy: -637.747 where: short stacking energy: -276.116 Base-Backbone interact. energy: -2.363 local terms energy: -346.996431 where: bonds (distance) C4'-P energy: -85.502 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -95.371 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -48.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -866.387558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.387558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.387558 (E_RNA) where: Base-Base interactions energy: -533.624 where: short stacking energy: -254.040 Base-Backbone interact. energy: -0.975 local terms energy: -331.788647 where: bonds (distance) C4'-P energy: -75.949 bonds (distance) P-C4' energy: -70.511 flat angles C4'-P-C4' energy: -72.011 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -51.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -828.424394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.424394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.424394 (E_RNA) where: Base-Base interactions energy: -553.421 where: short stacking energy: -257.458 Base-Backbone interact. energy: 2.182 local terms energy: -277.185381 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -75.300 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -27.431 tors. eta vs tors. theta energy: -37.817 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -473.520353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.520353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.520353 (E_RNA) where: Base-Base interactions energy: -199.439 where: short stacking energy: -128.398 Base-Backbone interact. energy: -1.069 local terms energy: -273.012827 where: bonds (distance) C4'-P energy: -73.421 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -75.325 flat angles P-C4'-P energy: -37.321 tors. eta vs tors. theta energy: 2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1641.017866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.017866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.017866 (E_RNA) where: Base-Base interactions energy: -1141.088 where: short stacking energy: -480.726 Base-Backbone interact. energy: 1.152 local terms energy: -501.082022 where: bonds (distance) C4'-P energy: -103.232 bonds (distance) P-C4' energy: -99.662 flat angles C4'-P-C4' energy: -108.841 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: -130.743 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: 86 Temperature: 0.950000 Total energy: -1545.497255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.497255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.497255 (E_RNA) where: Base-Base interactions energy: -1066.151 where: short stacking energy: -487.941 Base-Backbone interact. energy: -1.695 local terms energy: -477.651097 where: bonds (distance) C4'-P energy: -88.168 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -87.095 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -129.408 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: 86 Temperature: 1.000000 Total energy: -1466.187632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.187632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.187632 (E_RNA) where: Base-Base interactions energy: -1015.496 where: short stacking energy: -438.828 Base-Backbone interact. energy: -3.159 local terms energy: -447.532942 where: bonds (distance) C4'-P energy: -88.965 bonds (distance) P-C4' energy: -82.586 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -60.458 tors. eta vs tors. theta energy: -118.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1402.279667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.279667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.279667 (E_RNA) where: Base-Base interactions energy: -946.680 where: short stacking energy: -413.470 Base-Backbone interact. energy: -1.012 local terms energy: -454.588439 where: bonds (distance) C4'-P energy: -78.724 bonds (distance) P-C4' energy: -90.751 flat angles C4'-P-C4' energy: -100.358 flat angles P-C4'-P energy: -67.703 tors. eta vs tors. theta energy: -117.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1331.544370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.544370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.544370 (E_RNA) where: Base-Base interactions energy: -934.587 where: short stacking energy: -397.135 Base-Backbone interact. energy: -1.899 local terms energy: -395.058863 where: bonds (distance) C4'-P energy: -69.577 bonds (distance) P-C4' energy: -88.310 flat angles C4'-P-C4' energy: -94.543 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -83.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1130.575214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.575214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.575214 (E_RNA) where: Base-Base interactions energy: -751.294 where: short stacking energy: -331.232 Base-Backbone interact. energy: 0.578 local terms energy: -379.858944 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -82.717 flat angles C4'-P-C4' energy: -87.565 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: -66.577 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: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1006.390696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.390696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.390696 (E_RNA) where: Base-Base interactions energy: -678.713 where: short stacking energy: -310.146 Base-Backbone interact. energy: -4.850 local terms energy: -322.827953 where: bonds (distance) C4'-P energy: -76.879 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -73.220 flat angles P-C4'-P energy: -30.857 tors. eta vs tors. theta energy: -65.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -816.489393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.489393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.489393 (E_RNA) where: Base-Base interactions energy: -506.803 where: short stacking energy: -240.285 Base-Backbone interact. energy: -3.086 local terms energy: -306.600345 where: bonds (distance) C4'-P energy: -78.698 bonds (distance) P-C4' energy: -74.375 flat angles C4'-P-C4' energy: -88.706 flat angles P-C4'-P energy: -40.298 tors. eta vs tors. theta energy: -24.523 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -871.914760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.914760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.914760 (E_RNA) where: Base-Base interactions energy: -555.896 where: short stacking energy: -263.579 Base-Backbone interact. energy: 1.253 local terms energy: -317.272007 where: bonds (distance) C4'-P energy: -67.418 bonds (distance) P-C4' energy: -76.429 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -45.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -513.089692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.089692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.089692 (E_RNA) where: Base-Base interactions energy: -261.375 where: short stacking energy: -189.059 Base-Backbone interact. energy: -2.604 local terms energy: -249.111079 where: bonds (distance) C4'-P energy: -74.796 bonds (distance) P-C4' energy: -61.131 flat angles C4'-P-C4' energy: -65.355 flat angles P-C4'-P energy: -36.124 tors. eta vs tors. theta energy: -11.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1626.249137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.249137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.249137 (E_RNA) where: Base-Base interactions energy: -1135.097 where: short stacking energy: -469.245 Base-Backbone interact. energy: -1.584 local terms energy: -489.567994 where: bonds (distance) C4'-P energy: -93.959 bonds (distance) P-C4' energy: -95.914 flat angles C4'-P-C4' energy: -107.263 flat angles P-C4'-P energy: -72.627 tors. eta vs tors. theta energy: -119.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1521.599218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.599218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.599218 (E_RNA) where: Base-Base interactions energy: -1041.424 where: short stacking energy: -459.300 Base-Backbone interact. energy: -2.436 local terms energy: -477.738344 where: bonds (distance) C4'-P energy: -93.195 bonds (distance) P-C4' energy: -92.211 flat angles C4'-P-C4' energy: -100.392 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -132.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1493.500402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.500402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.500402 (E_RNA) where: Base-Base interactions energy: -1052.211 where: short stacking energy: -427.952 Base-Backbone interact. energy: -1.850 local terms energy: -439.439725 where: bonds (distance) C4'-P energy: -83.732 bonds (distance) P-C4' energy: -88.581 flat angles C4'-P-C4' energy: -97.578 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -115.491 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: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1380.815996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.815996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.815996 (E_RNA) where: Base-Base interactions energy: -908.486 where: short stacking energy: -408.404 Base-Backbone interact. energy: -2.763 local terms energy: -469.566941 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -98.036 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: -101.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1340.426640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.426640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.426640 (E_RNA) where: Base-Base interactions energy: -927.602 where: short stacking energy: -380.765 Base-Backbone interact. energy: -0.539 local terms energy: -412.285190 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -95.212 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -64.879 tors. eta vs tors. theta energy: -81.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1136.082713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.082713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.082713 (E_RNA) where: Base-Base interactions energy: -742.300 where: short stacking energy: -349.972 Base-Backbone interact. energy: -1.910 local terms energy: -391.873184 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -80.801 flat angles C4'-P-C4' energy: -93.330 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: -82.568 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: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1058.447984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.447984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.447984 (E_RNA) where: Base-Base interactions energy: -712.376 where: short stacking energy: -341.706 Base-Backbone interact. energy: -1.128 local terms energy: -344.944646 where: bonds (distance) C4'-P energy: -78.794 bonds (distance) P-C4' energy: -66.879 flat angles C4'-P-C4' energy: -78.761 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -68.911 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: 87 Temperature: 1.250000 Total energy: -813.601942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.601942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.601942 (E_RNA) where: Base-Base interactions energy: -494.524 where: short stacking energy: -254.730 Base-Backbone interact. energy: -2.940 local terms energy: -316.137357 where: bonds (distance) C4'-P energy: -66.277 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -85.231 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -49.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -901.072132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.072132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.072132 (E_RNA) where: Base-Base interactions energy: -549.766 where: short stacking energy: -243.834 Base-Backbone interact. energy: 2.973 local terms energy: -354.279157 where: bonds (distance) C4'-P energy: -86.956 bonds (distance) P-C4' energy: -86.225 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -63.020 tors. eta vs tors. theta energy: -36.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -498.008696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.008696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.008696 (E_RNA) where: Base-Base interactions energy: -250.253 where: short stacking energy: -144.341 Base-Backbone interact. energy: -0.637 local terms energy: -247.118627 where: bonds (distance) C4'-P energy: -71.448 bonds (distance) P-C4' energy: -75.717 flat angles C4'-P-C4' energy: -73.669 flat angles P-C4'-P energy: -33.345 tors. eta vs tors. theta energy: 7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1633.211329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.211329 (E_RNA) where: Base-Base interactions energy: -1142.958 where: short stacking energy: -483.146 Base-Backbone interact. energy: -2.237 local terms energy: -488.016067 where: bonds (distance) C4'-P energy: -90.888 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -106.616 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -127.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1539.152943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.152943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.152943 (E_RNA) where: Base-Base interactions energy: -1045.428 where: short stacking energy: -469.391 Base-Backbone interact. energy: -2.709 local terms energy: -491.015912 where: bonds (distance) C4'-P energy: -103.497 bonds (distance) P-C4' energy: -89.516 flat angles C4'-P-C4' energy: -104.040 flat angles P-C4'-P energy: -65.927 tors. eta vs tors. theta energy: -128.036 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: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1483.125537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.125537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.125537 (E_RNA) where: Base-Base interactions energy: -1019.476 where: short stacking energy: -418.822 Base-Backbone interact. energy: -1.057 local terms energy: -462.593133 where: bonds (distance) C4'-P energy: -91.849 bonds (distance) P-C4' energy: -96.698 flat angles C4'-P-C4' energy: -98.022 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -105.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1379.934586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.934586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.934586 (E_RNA) where: Base-Base interactions energy: -953.151 where: short stacking energy: -421.187 Base-Backbone interact. energy: -0.695 local terms energy: -426.089158 where: bonds (distance) C4'-P energy: -84.677 bonds (distance) P-C4' energy: -79.864 flat angles C4'-P-C4' energy: -93.558 flat angles P-C4'-P energy: -58.751 tors. eta vs tors. theta energy: -109.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1374.231920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.231920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.231920 (E_RNA) where: Base-Base interactions energy: -961.248 where: short stacking energy: -401.443 Base-Backbone interact. energy: -2.566 local terms energy: -410.417397 where: bonds (distance) C4'-P energy: -77.064 bonds (distance) P-C4' energy: -88.382 flat angles C4'-P-C4' energy: -91.955 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -88.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1088.388081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.388081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.388081 (E_RNA) where: Base-Base interactions energy: -753.880 where: short stacking energy: -323.526 Base-Backbone interact. energy: -1.824 local terms energy: -332.683913 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -69.220 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -62.567 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: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1003.852096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.852096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.852096 (E_RNA) where: Base-Base interactions energy: -672.652 where: short stacking energy: -286.079 Base-Backbone interact. energy: -0.443 local terms energy: -330.757339 where: bonds (distance) C4'-P energy: -71.870 bonds (distance) P-C4' energy: -76.155 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -54.346 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: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -859.344239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.344239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.344239 (E_RNA) where: Base-Base interactions energy: -508.073 where: short stacking energy: -248.151 Base-Backbone interact. energy: 0.394 local terms energy: -351.665333 where: bonds (distance) C4'-P energy: -86.240 bonds (distance) P-C4' energy: -86.935 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -49.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -879.344774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.344774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.344774 (E_RNA) where: Base-Base interactions energy: -547.093 where: short stacking energy: -251.345 Base-Backbone interact. energy: -1.722 local terms energy: -330.530480 where: bonds (distance) C4'-P energy: -72.277 bonds (distance) P-C4' energy: -94.099 flat angles C4'-P-C4' energy: -88.676 flat angles P-C4'-P energy: -30.436 tors. eta vs tors. theta energy: -45.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -496.196531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.196531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.196531 (E_RNA) where: Base-Base interactions energy: -224.055 where: short stacking energy: -169.663 Base-Backbone interact. energy: -2.404 local terms energy: -269.737621 where: bonds (distance) C4'-P energy: -82.812 bonds (distance) P-C4' energy: -86.392 flat angles C4'-P-C4' energy: -61.855 flat angles P-C4'-P energy: -23.362 tors. eta vs tors. theta energy: -15.316 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: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1609.282400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.282400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.282400 (E_RNA) where: Base-Base interactions energy: -1117.522 where: short stacking energy: -480.362 Base-Backbone interact. energy: -1.391 local terms energy: -490.369046 where: bonds (distance) C4'-P energy: -81.926 bonds (distance) P-C4' energy: -103.483 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -131.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1563.694783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.694783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.694783 (E_RNA) where: Base-Base interactions energy: -1073.604 where: short stacking energy: -465.364 Base-Backbone interact. energy: -0.998 local terms energy: -489.092528 where: bonds (distance) C4'-P energy: -89.999 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -112.285 flat angles P-C4'-P energy: -73.895 tors. eta vs tors. theta energy: -126.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1484.720158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.720158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.720158 (E_RNA) where: Base-Base interactions energy: -1029.632 where: short stacking energy: -413.120 Base-Backbone interact. energy: -4.608 local terms energy: -450.479993 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -83.049 flat angles C4'-P-C4' energy: -82.740 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -114.468 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: 89 Temperature: 1.050000 Total energy: -1417.964167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.964167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.964167 (E_RNA) where: Base-Base interactions energy: -964.419 where: short stacking energy: -417.246 Base-Backbone interact. energy: -1.823 local terms energy: -451.722191 where: bonds (distance) C4'-P energy: -75.865 bonds (distance) P-C4' energy: -96.965 flat angles C4'-P-C4' energy: -102.730 flat angles P-C4'-P energy: -75.592 tors. eta vs tors. theta energy: -100.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1332.411024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.411024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.411024 (E_RNA) where: Base-Base interactions energy: -895.148 where: short stacking energy: -376.262 Base-Backbone interact. energy: 0.038 local terms energy: -437.301111 where: bonds (distance) C4'-P energy: -93.320 bonds (distance) P-C4' energy: -96.916 flat angles C4'-P-C4' energy: -93.616 flat angles P-C4'-P energy: -66.040 tors. eta vs tors. theta energy: -87.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1061.163849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.163849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.163849 (E_RNA) where: Base-Base interactions energy: -694.991 where: short stacking energy: -327.560 Base-Backbone interact. energy: -2.035 local terms energy: -364.138091 where: bonds (distance) C4'-P energy: -74.263 bonds (distance) P-C4' energy: -84.032 flat angles C4'-P-C4' energy: -86.087 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -72.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1032.158426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.158426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.158426 (E_RNA) where: Base-Base interactions energy: -656.472 where: short stacking energy: -300.834 Base-Backbone interact. energy: -0.246 local terms energy: -375.440721 where: bonds (distance) C4'-P energy: -92.035 bonds (distance) P-C4' energy: -79.775 flat angles C4'-P-C4' energy: -91.307 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -67.743 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: 89 Temperature: 1.250000 Total energy: -908.083614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.083614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.083614 (E_RNA) where: Base-Base interactions energy: -541.181 where: short stacking energy: -267.693 Base-Backbone interact. energy: -1.942 local terms energy: -364.960285 where: bonds (distance) C4'-P energy: -83.851 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -82.253 flat angles P-C4'-P energy: -55.288 tors. eta vs tors. theta energy: -51.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -827.504651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.504651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.504651 (E_RNA) where: Base-Base interactions energy: -518.753 where: short stacking energy: -240.615 Base-Backbone interact. energy: -2.459 local terms energy: -306.293267 where: bonds (distance) C4'-P energy: -79.786 bonds (distance) P-C4' energy: -67.313 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -37.482 tors. eta vs tors. theta energy: -39.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -490.381682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.381682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.381682 (E_RNA) where: Base-Base interactions energy: -227.317 where: short stacking energy: -145.721 Base-Backbone interact. energy: -1.005 local terms energy: -262.058833 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -67.446 flat angles P-C4'-P energy: -35.704 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1652.613663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.613663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.613663 (E_RNA) where: Base-Base interactions energy: -1152.451 where: short stacking energy: -510.803 Base-Backbone interact. energy: -0.502 local terms energy: -499.660597 where: bonds (distance) C4'-P energy: -94.213 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -104.816 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -133.218 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: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1539.257195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.257195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.257195 (E_RNA) where: Base-Base interactions energy: -1055.300 where: short stacking energy: -446.397 Base-Backbone interact. energy: -1.026 local terms energy: -482.930955 where: bonds (distance) C4'-P energy: -97.334 bonds (distance) P-C4' energy: -102.922 flat angles C4'-P-C4' energy: -108.063 flat angles P-C4'-P energy: -65.349 tors. eta vs tors. theta energy: -109.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1504.323964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.323964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.323964 (E_RNA) where: Base-Base interactions energy: -1056.075 where: short stacking energy: -421.656 Base-Backbone interact. energy: -2.681 local terms energy: -445.568066 where: bonds (distance) C4'-P energy: -92.721 bonds (distance) P-C4' energy: -92.783 flat angles C4'-P-C4' energy: -97.223 flat angles P-C4'-P energy: -54.271 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: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1446.350475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.350475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.350475 (E_RNA) where: Base-Base interactions energy: -1005.727 where: short stacking energy: -408.317 Base-Backbone interact. energy: -5.329 local terms energy: -435.295047 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -92.158 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -60.824 tors. eta vs tors. theta energy: -108.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1306.701649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.701649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.701649 (E_RNA) where: Base-Base interactions energy: -894.094 where: short stacking energy: -368.505 Base-Backbone interact. energy: 0.030 local terms energy: -412.637589 where: bonds (distance) C4'-P energy: -72.008 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -92.345 flat angles P-C4'-P energy: -62.202 tors. eta vs tors. theta energy: -93.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1053.666857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.666857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.666857 (E_RNA) where: Base-Base interactions energy: -682.918 where: short stacking energy: -301.419 Base-Backbone interact. energy: 1.067 local terms energy: -371.816064 where: bonds (distance) C4'-P energy: -81.239 bonds (distance) P-C4' energy: -85.571 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -56.631 tors. eta vs tors. theta energy: -60.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1014.424774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.424774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.424774 (E_RNA) where: Base-Base interactions energy: -664.110 where: short stacking energy: -288.363 Base-Backbone interact. energy: -3.905 local terms energy: -346.409546 where: bonds (distance) C4'-P energy: -92.297 bonds (distance) P-C4' energy: -78.872 flat angles C4'-P-C4' energy: -81.119 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -45.532 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: 90 Temperature: 1.250000 Total energy: -918.907694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.907694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.907694 (E_RNA) where: Base-Base interactions energy: -584.394 where: short stacking energy: -299.043 Base-Backbone interact. energy: -0.702 local terms energy: -333.811328 where: bonds (distance) C4'-P energy: -66.734 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -65.786 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: -65.932 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: 90 Temperature: 1.300000 Total energy: -785.825615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.825615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.825615 (E_RNA) where: Base-Base interactions energy: -500.212 where: short stacking energy: -244.331 Base-Backbone interact. energy: -1.120 local terms energy: -284.493272 where: bonds (distance) C4'-P energy: -81.765 bonds (distance) P-C4' energy: -57.698 flat angles C4'-P-C4' energy: -78.959 flat angles P-C4'-P energy: -32.420 tors. eta vs tors. theta energy: -33.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -463.791124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.791124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.791124 (E_RNA) where: Base-Base interactions energy: -210.240 where: short stacking energy: -127.898 Base-Backbone interact. energy: 1.126 local terms energy: -254.677045 where: bonds (distance) C4'-P energy: -73.618 bonds (distance) P-C4' energy: -84.380 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -36.987 tors. eta vs tors. theta energy: 6.262 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: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1654.653598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.653598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.653598 (E_RNA) where: Base-Base interactions energy: -1147.044 where: short stacking energy: -502.575 Base-Backbone interact. energy: -1.105 local terms energy: -506.505200 where: bonds (distance) C4'-P energy: -95.500 bonds (distance) P-C4' energy: -98.090 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -75.661 tors. eta vs tors. theta energy: -133.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1549.659052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.659052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.659052 (E_RNA) where: Base-Base interactions energy: -1057.110 where: short stacking energy: -450.478 Base-Backbone interact. energy: -3.403 local terms energy: -489.146029 where: bonds (distance) C4'-P energy: -92.035 bonds (distance) P-C4' energy: -83.403 flat angles C4'-P-C4' energy: -108.300 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -133.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1504.728817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.728817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.728817 (E_RNA) where: Base-Base interactions energy: -1051.523 where: short stacking energy: -423.811 Base-Backbone interact. energy: -3.991 local terms energy: -449.214603 where: bonds (distance) C4'-P energy: -87.218 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -111.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1422.707069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.707069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.707069 (E_RNA) where: Base-Base interactions energy: -983.882 where: short stacking energy: -423.176 Base-Backbone interact. energy: -0.630 local terms energy: -438.194842 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -93.542 flat angles P-C4'-P energy: -73.720 tors. eta vs tors. theta energy: -102.324 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: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1317.016659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.016659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.016659 (E_RNA) where: Base-Base interactions energy: -885.440 where: short stacking energy: -377.412 Base-Backbone interact. energy: -3.114 local terms energy: -428.463353 where: bonds (distance) C4'-P energy: -81.058 bonds (distance) P-C4' energy: -76.519 flat angles C4'-P-C4' energy: -99.961 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -96.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1170.051185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.051185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.051185 (E_RNA) where: Base-Base interactions energy: -778.210 where: short stacking energy: -352.849 Base-Backbone interact. energy: -3.295 local terms energy: -388.546169 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -98.995 flat angles C4'-P-C4' energy: -93.473 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -74.541 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: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1020.712996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.712996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.712996 (E_RNA) where: Base-Base interactions energy: -664.661 where: short stacking energy: -308.104 Base-Backbone interact. energy: 2.250 local terms energy: -358.302330 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -76.069 flat angles C4'-P-C4' energy: -85.887 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -65.316 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: 91 Temperature: 1.250000 Total energy: -906.839344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.839344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.839344 (E_RNA) where: Base-Base interactions energy: -572.905 where: short stacking energy: -281.944 Base-Backbone interact. energy: -1.815 local terms energy: -332.120027 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -86.055 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -58.993 tors. eta vs tors. theta energy: -50.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -699.484411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.484411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.484411 (E_RNA) where: Base-Base interactions energy: -403.668 where: short stacking energy: -211.408 Base-Backbone interact. energy: -0.199 local terms energy: -295.617565 where: bonds (distance) C4'-P energy: -77.570 bonds (distance) P-C4' energy: -85.153 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: -28.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -454.724483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.724483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.724483 (E_RNA) where: Base-Base interactions energy: -190.622 where: short stacking energy: -127.670 Base-Backbone interact. energy: -1.913 local terms energy: -262.190028 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -83.323 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -37.424 tors. eta vs tors. theta energy: 9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1662.939627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.939627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.939627 (E_RNA) where: Base-Base interactions energy: -1150.878 where: short stacking energy: -491.750 Base-Backbone interact. energy: -3.714 local terms energy: -508.346660 where: bonds (distance) C4'-P energy: -96.869 bonds (distance) P-C4' energy: -95.474 flat angles C4'-P-C4' energy: -104.377 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -142.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1548.461146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.461146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.461146 (E_RNA) where: Base-Base interactions energy: -1074.190 where: short stacking energy: -470.467 Base-Backbone interact. energy: -0.508 local terms energy: -473.763818 where: bonds (distance) C4'-P energy: -87.929 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -95.179 flat angles P-C4'-P energy: -72.647 tors. eta vs tors. theta energy: -124.534 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: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1499.430330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.430330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.430330 (E_RNA) where: Base-Base interactions energy: -1063.050 where: short stacking energy: -412.995 Base-Backbone interact. energy: -5.297 local terms energy: -431.082544 where: bonds (distance) C4'-P energy: -76.788 bonds (distance) P-C4' energy: -87.657 flat angles C4'-P-C4' energy: -91.581 flat angles P-C4'-P energy: -68.609 tors. eta vs tors. theta energy: -106.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1434.465461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.465461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.465461 (E_RNA) where: Base-Base interactions energy: -986.680 where: short stacking energy: -422.618 Base-Backbone interact. energy: 0.453 local terms energy: -448.239034 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -82.371 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -74.437 tors. eta vs tors. theta energy: -100.979 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: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1268.874300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.874300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.874300 (E_RNA) where: Base-Base interactions energy: -863.130 where: short stacking energy: -369.283 Base-Backbone interact. energy: -1.645 local terms energy: -404.099114 where: bonds (distance) C4'-P energy: -89.405 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -95.780 flat angles P-C4'-P energy: -55.456 tors. eta vs tors. theta energy: -90.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1176.457409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.457409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.457409 (E_RNA) where: Base-Base interactions energy: -788.298 where: short stacking energy: -359.122 Base-Backbone interact. energy: -1.750 local terms energy: -386.409556 where: bonds (distance) C4'-P energy: -72.418 bonds (distance) P-C4' energy: -96.331 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -70.264 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: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1027.670565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.670565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.670565 (E_RNA) where: Base-Base interactions energy: -642.575 where: short stacking energy: -326.807 Base-Backbone interact. energy: 0.168 local terms energy: -385.264101 where: bonds (distance) C4'-P energy: -73.760 bonds (distance) P-C4' energy: -79.821 flat angles C4'-P-C4' energy: -94.391 flat angles P-C4'-P energy: -52.163 tors. eta vs tors. theta energy: -85.129 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: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -919.180418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.180418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.180418 (E_RNA) where: Base-Base interactions energy: -603.735 where: short stacking energy: -281.502 Base-Backbone interact. energy: 3.321 local terms energy: -318.766552 where: bonds (distance) C4'-P energy: -65.849 bonds (distance) P-C4' energy: -75.144 flat angles C4'-P-C4' energy: -80.135 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -52.154 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -756.996512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.996512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.996512 (E_RNA) where: Base-Base interactions energy: -471.885 where: short stacking energy: -211.021 Base-Backbone interact. energy: -1.986 local terms energy: -283.125289 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -96.214 flat angles C4'-P-C4' energy: -64.569 flat angles P-C4'-P energy: -39.158 tors. eta vs tors. theta energy: -22.420 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: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -473.848440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.848440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.848440 (E_RNA) where: Base-Base interactions energy: -235.288 where: short stacking energy: -148.419 Base-Backbone interact. energy: 3.310 local terms energy: -241.870460 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -67.779 flat angles C4'-P-C4' energy: -67.102 flat angles P-C4'-P energy: -36.079 tors. eta vs tors. theta energy: 0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1660.820914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.820914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.820914 (E_RNA) where: Base-Base interactions energy: -1170.623 where: short stacking energy: -491.454 Base-Backbone interact. energy: 0.907 local terms energy: -491.104903 where: bonds (distance) C4'-P energy: -93.404 bonds (distance) P-C4' energy: -97.855 flat angles C4'-P-C4' energy: -100.036 flat angles P-C4'-P energy: -71.237 tors. eta vs tors. theta energy: -128.572 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: 93 Temperature: 0.950000 Total energy: -1524.121187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.121187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.121187 (E_RNA) where: Base-Base interactions energy: -1043.846 where: short stacking energy: -450.316 Base-Backbone interact. energy: -2.048 local terms energy: -478.227606 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -95.825 flat angles C4'-P-C4' energy: -109.068 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -125.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1468.248289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.248289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.248289 (E_RNA) where: Base-Base interactions energy: -1004.856 where: short stacking energy: -435.193 Base-Backbone interact. energy: -3.530 local terms energy: -459.861814 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -82.356 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -64.359 tors. eta vs tors. theta energy: -119.350 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: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1470.255545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.255545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.255545 (E_RNA) where: Base-Base interactions energy: -1022.958 where: short stacking energy: -411.373 Base-Backbone interact. energy: 0.802 local terms energy: -448.100227 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -92.689 flat angles C4'-P-C4' energy: -96.110 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -100.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1302.146600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.146600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.146600 (E_RNA) where: Base-Base interactions energy: -877.781 where: short stacking energy: -390.171 Base-Backbone interact. energy: -2.393 local terms energy: -421.973062 where: bonds (distance) C4'-P energy: -78.183 bonds (distance) P-C4' energy: -89.719 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -61.766 tors. eta vs tors. theta energy: -96.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1190.521374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.521374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.521374 (E_RNA) where: Base-Base interactions energy: -801.821 where: short stacking energy: -372.789 Base-Backbone interact. energy: 4.232 local terms energy: -392.933099 where: bonds (distance) C4'-P energy: -80.576 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -103.468 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -86.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -989.459970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.459970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.459970 (E_RNA) where: Base-Base interactions energy: -634.245 where: short stacking energy: -291.781 Base-Backbone interact. energy: 1.057 local terms energy: -356.272058 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -85.517 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -60.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -894.195210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.195210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.195210 (E_RNA) where: Base-Base interactions energy: -539.955 where: short stacking energy: -280.834 Base-Backbone interact. energy: -0.122 local terms energy: -354.117926 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -58.905 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -714.325606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.325606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.325606 (E_RNA) where: Base-Base interactions energy: -436.397 where: short stacking energy: -222.888 Base-Backbone interact. energy: -4.491 local terms energy: -273.437552 where: bonds (distance) C4'-P energy: -79.180 bonds (distance) P-C4' energy: -80.443 flat angles C4'-P-C4' energy: -73.776 flat angles P-C4'-P energy: -18.856 tors. eta vs tors. theta energy: -21.183 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: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -507.642667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.642667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.642667 (E_RNA) where: Base-Base interactions energy: -234.431 where: short stacking energy: -146.641 Base-Backbone interact. energy: 2.527 local terms energy: -275.738771 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -72.593 flat angles C4'-P-C4' energy: -85.944 flat angles P-C4'-P energy: -44.679 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1640.913862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.913862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.913862 (E_RNA) where: Base-Base interactions energy: -1130.778 where: short stacking energy: -473.976 Base-Backbone interact. energy: -1.494 local terms energy: -508.642038 where: bonds (distance) C4'-P energy: -86.478 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -112.316 flat angles P-C4'-P energy: -75.404 tors. eta vs tors. theta energy: -132.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1551.095354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.095354 (E_RNA) where: Base-Base interactions energy: -1054.073 where: short stacking energy: -456.493 Base-Backbone interact. energy: -0.351 local terms energy: -496.671358 where: bonds (distance) C4'-P energy: -98.332 bonds (distance) P-C4' energy: -100.761 flat angles C4'-P-C4' energy: -96.482 flat angles P-C4'-P energy: -77.748 tors. eta vs tors. theta energy: -123.348 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: 94 Temperature: 1.000000 Total energy: -1461.247912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.247912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.247912 (E_RNA) where: Base-Base interactions energy: -1029.816 where: short stacking energy: -415.735 Base-Backbone interact. energy: 1.078 local terms energy: -432.509699 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -95.473 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -101.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1444.903717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.903717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.903717 (E_RNA) where: Base-Base interactions energy: -993.416 where: short stacking energy: -392.059 Base-Backbone interact. energy: -1.874 local terms energy: -449.612938 where: bonds (distance) C4'-P energy: -84.693 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -106.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1283.214713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.214713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.214713 (E_RNA) where: Base-Base interactions energy: -865.130 where: short stacking energy: -361.946 Base-Backbone interact. energy: -4.306 local terms energy: -413.778759 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -92.954 flat angles C4'-P-C4' energy: -91.673 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: -92.155 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: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1283.989974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.989974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.989974 (E_RNA) where: Base-Base interactions energy: -875.929 where: short stacking energy: -388.818 Base-Backbone interact. energy: -1.553 local terms energy: -406.507915 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -88.252 flat angles C4'-P-C4' energy: -84.352 flat angles P-C4'-P energy: -57.590 tors. eta vs tors. theta energy: -94.140 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: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -996.829379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.829379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.829379 (E_RNA) where: Base-Base interactions energy: -640.439 where: short stacking energy: -302.687 Base-Backbone interact. energy: -1.056 local terms energy: -355.335062 where: bonds (distance) C4'-P energy: -77.140 bonds (distance) P-C4' energy: -86.970 flat angles C4'-P-C4' energy: -76.807 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -58.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -929.285572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.285572 (E_RNA) where: Base-Base interactions energy: -597.205 where: short stacking energy: -266.327 Base-Backbone interact. energy: -1.066 local terms energy: -331.014988 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -79.795 flat angles C4'-P-C4' energy: -86.925 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: -41.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -738.764935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.764935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.764935 (E_RNA) where: Base-Base interactions energy: -453.570 where: short stacking energy: -213.617 Base-Backbone interact. energy: -2.017 local terms energy: -283.177943 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -69.560 flat angles C4'-P-C4' energy: -61.565 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -30.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -494.826170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.826170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.826170 (E_RNA) where: Base-Base interactions energy: -239.736 where: short stacking energy: -165.944 Base-Backbone interact. energy: -2.047 local terms energy: -253.042907 where: bonds (distance) C4'-P energy: -85.247 bonds (distance) P-C4' energy: -82.074 flat angles C4'-P-C4' energy: -60.369 flat angles P-C4'-P energy: -21.895 tors. eta vs tors. theta energy: -3.458 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: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1639.743750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.743750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.743750 (E_RNA) where: Base-Base interactions energy: -1138.532 where: short stacking energy: -465.035 Base-Backbone interact. energy: 0.163 local terms energy: -501.374181 where: bonds (distance) C4'-P energy: -102.627 bonds (distance) P-C4' energy: -100.456 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -128.840 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: 95 Temperature: 0.950000 Total energy: -1555.010374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.010374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.010374 (E_RNA) where: Base-Base interactions energy: -1065.830 where: short stacking energy: -443.627 Base-Backbone interact. energy: -2.073 local terms energy: -487.107503 where: bonds (distance) C4'-P energy: -85.503 bonds (distance) P-C4' energy: -90.041 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -73.234 tors. eta vs tors. theta energy: -129.170 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: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1476.154657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.154657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.154657 (E_RNA) where: Base-Base interactions energy: -1022.232 where: short stacking energy: -423.421 Base-Backbone interact. energy: -2.077 local terms energy: -451.845831 where: bonds (distance) C4'-P energy: -84.930 bonds (distance) P-C4' energy: -96.287 flat angles C4'-P-C4' energy: -105.258 flat angles P-C4'-P energy: -57.417 tors. eta vs tors. theta energy: -107.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1473.399839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.399839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.399839 (E_RNA) where: Base-Base interactions energy: -1022.383 where: short stacking energy: -441.662 Base-Backbone interact. energy: -0.737 local terms energy: -450.280471 where: bonds (distance) C4'-P energy: -77.876 bonds (distance) P-C4' energy: -85.102 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -119.707 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: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1310.150420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.150420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.150420 (E_RNA) where: Base-Base interactions energy: -896.801 where: short stacking energy: -380.646 Base-Backbone interact. energy: -1.933 local terms energy: -411.417152 where: bonds (distance) C4'-P energy: -72.280 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -92.987 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -104.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1191.230940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.230940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.230940 (E_RNA) where: Base-Base interactions energy: -789.879 where: short stacking energy: -329.078 Base-Backbone interact. energy: -0.579 local terms energy: -400.772524 where: bonds (distance) C4'-P energy: -84.789 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -89.994 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: -67.493 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: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1076.569648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.569648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.569648 (E_RNA) where: Base-Base interactions energy: -705.666 where: short stacking energy: -341.042 Base-Backbone interact. energy: 0.483 local terms energy: -371.386209 where: bonds (distance) C4'-P energy: -62.501 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -916.325822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.325822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.325822 (E_RNA) where: Base-Base interactions energy: -589.550 where: short stacking energy: -297.050 Base-Backbone interact. energy: -1.521 local terms energy: -325.254825 where: bonds (distance) C4'-P energy: -68.769 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -70.228 flat angles P-C4'-P energy: -50.368 tors. eta vs tors. theta energy: -61.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -746.981500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.981500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.981500 (E_RNA) where: Base-Base interactions energy: -453.894 where: short stacking energy: -202.581 Base-Backbone interact. energy: -1.776 local terms energy: -291.311728 where: bonds (distance) C4'-P energy: -85.282 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -51.830 tors. eta vs tors. theta energy: -8.346 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: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -477.619744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.619744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.619744 (E_RNA) where: Base-Base interactions energy: -210.392 where: short stacking energy: -127.632 Base-Backbone interact. energy: -2.152 local terms energy: -265.075795 where: bonds (distance) C4'-P energy: -81.843 bonds (distance) P-C4' energy: -80.203 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: 5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1651.328416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.328416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.328416 (E_RNA) where: Base-Base interactions energy: -1147.238 where: short stacking energy: -490.462 Base-Backbone interact. energy: -2.021 local terms energy: -502.069718 where: bonds (distance) C4'-P energy: -86.922 bonds (distance) P-C4' energy: -91.968 flat angles C4'-P-C4' energy: -98.008 flat angles P-C4'-P energy: -86.788 tors. eta vs tors. theta energy: -138.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1521.245114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.245114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.245114 (E_RNA) where: Base-Base interactions energy: -1038.836 where: short stacking energy: -451.977 Base-Backbone interact. energy: -2.481 local terms energy: -479.928699 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -98.586 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -123.815 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: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1501.453870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.453870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.453870 (E_RNA) where: Base-Base interactions energy: -1041.678 where: short stacking energy: -439.534 Base-Backbone interact. energy: 1.320 local terms energy: -461.096257 where: bonds (distance) C4'-P energy: -95.902 bonds (distance) P-C4' energy: -82.446 flat angles C4'-P-C4' energy: -101.491 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -116.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1484.904835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.904835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.904835 (E_RNA) where: Base-Base interactions energy: -1024.843 where: short stacking energy: -427.850 Base-Backbone interact. energy: -4.434 local terms energy: -455.627661 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -85.879 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -110.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1319.596518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.596518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.596518 (E_RNA) where: Base-Base interactions energy: -881.335 where: short stacking energy: -378.893 Base-Backbone interact. energy: -3.247 local terms energy: -435.014756 where: bonds (distance) C4'-P energy: -85.383 bonds (distance) P-C4' energy: -94.699 flat angles C4'-P-C4' energy: -104.027 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -98.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1228.952648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.952648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.952648 (E_RNA) where: Base-Base interactions energy: -832.016 where: short stacking energy: -348.340 Base-Backbone interact. energy: -1.480 local terms energy: -395.456187 where: bonds (distance) C4'-P energy: -83.164 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -86.941 flat angles P-C4'-P energy: -44.921 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: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1063.084101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.084101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.084101 (E_RNA) where: Base-Base interactions energy: -686.928 where: short stacking energy: -309.192 Base-Backbone interact. energy: 1.822 local terms energy: -377.977969 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -84.679 flat angles C4'-P-C4' energy: -89.895 flat angles P-C4'-P energy: -66.221 tors. eta vs tors. theta energy: -68.994 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: 96 Temperature: 1.250000 Total energy: -926.276179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.276179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.276179 (E_RNA) where: Base-Base interactions energy: -598.404 where: short stacking energy: -264.187 Base-Backbone interact. energy: 3.531 local terms energy: -331.402879 where: bonds (distance) C4'-P energy: -78.781 bonds (distance) P-C4' energy: -88.247 flat angles C4'-P-C4' energy: -83.131 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -40.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -602.785217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.785217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.785217 (E_RNA) where: Base-Base interactions energy: -309.638 where: short stacking energy: -182.055 Base-Backbone interact. energy: 3.460 local terms energy: -296.606925 where: bonds (distance) C4'-P energy: -69.287 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -63.962 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -17.446 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: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -504.920250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.920250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.920250 (E_RNA) where: Base-Base interactions energy: -228.624 where: short stacking energy: -146.017 Base-Backbone interact. energy: -4.196 local terms energy: -272.100203 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -87.330 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1639.136593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.136593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.136593 (E_RNA) where: Base-Base interactions energy: -1134.697 where: short stacking energy: -486.725 Base-Backbone interact. energy: -0.664 local terms energy: -503.775786 where: bonds (distance) C4'-P energy: -94.623 bonds (distance) P-C4' energy: -90.060 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -75.939 tors. eta vs tors. theta energy: -140.285 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: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1566.928372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.928372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.928372 (E_RNA) where: Base-Base interactions energy: -1082.670 where: short stacking energy: -447.238 Base-Backbone interact. energy: -1.776 local terms energy: -482.482007 where: bonds (distance) C4'-P energy: -88.686 bonds (distance) P-C4' energy: -104.484 flat angles C4'-P-C4' energy: -105.446 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: -118.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1497.654676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.654676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.654676 (E_RNA) where: Base-Base interactions energy: -1032.025 where: short stacking energy: -406.763 Base-Backbone interact. energy: -2.722 local terms energy: -462.907956 where: bonds (distance) C4'-P energy: -80.903 bonds (distance) P-C4' energy: -95.946 flat angles C4'-P-C4' energy: -103.417 flat angles P-C4'-P energy: -65.053 tors. eta vs tors. theta energy: -117.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1336.305480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.305480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.305480 (E_RNA) where: Base-Base interactions energy: -893.319 where: short stacking energy: -396.821 Base-Backbone interact. energy: 1.724 local terms energy: -444.710129 where: bonds (distance) C4'-P energy: -85.361 bonds (distance) P-C4' energy: -92.629 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -100.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1444.280359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.280359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.280359 (E_RNA) where: Base-Base interactions energy: -1019.027 where: short stacking energy: -413.219 Base-Backbone interact. energy: -2.953 local terms energy: -422.300789 where: bonds (distance) C4'-P energy: -86.214 bonds (distance) P-C4' energy: -81.782 flat angles C4'-P-C4' energy: -84.151 flat angles P-C4'-P energy: -64.301 tors. eta vs tors. theta energy: -105.853 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: 97 Temperature: 1.150000 Total energy: -1289.388077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.388077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.388077 (E_RNA) where: Base-Base interactions energy: -892.217 where: short stacking energy: -403.166 Base-Backbone interact. energy: 1.540 local terms energy: -398.710273 where: bonds (distance) C4'-P energy: -96.177 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -81.194 flat angles P-C4'-P energy: -49.101 tors. eta vs tors. theta energy: -84.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1075.791106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.791106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.791106 (E_RNA) where: Base-Base interactions energy: -690.387 where: short stacking energy: -330.366 Base-Backbone interact. energy: 1.057 local terms energy: -386.460553 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -92.780 flat angles C4'-P-C4' energy: -78.581 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -82.415 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: 97 Temperature: 1.250000 Total energy: -897.769667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.769667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.769667 (E_RNA) where: Base-Base interactions energy: -536.597 where: short stacking energy: -254.537 Base-Backbone interact. energy: -0.551 local terms energy: -360.621622 where: bonds (distance) C4'-P energy: -89.085 bonds (distance) P-C4' energy: -98.916 flat angles C4'-P-C4' energy: -88.870 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: -42.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -632.314872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.314872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.314872 (E_RNA) where: Base-Base interactions energy: -328.922 where: short stacking energy: -176.957 Base-Backbone interact. energy: 2.968 local terms energy: -306.360476 where: bonds (distance) C4'-P energy: -77.445 bonds (distance) P-C4' energy: -98.737 flat angles C4'-P-C4' energy: -85.815 flat angles P-C4'-P energy: -42.584 tors. eta vs tors. theta energy: -1.779 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: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -512.927336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.927336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.927336 (E_RNA) where: Base-Base interactions energy: -253.968 where: short stacking energy: -151.592 Base-Backbone interact. energy: 6.885 local terms energy: -265.843844 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -87.104 flat angles C4'-P-C4' energy: -52.226 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: 2.909 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: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1643.844860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.844860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.844860 (E_RNA) where: Base-Base interactions energy: -1145.087 where: short stacking energy: -497.132 Base-Backbone interact. energy: -1.703 local terms energy: -497.054557 where: bonds (distance) C4'-P energy: -95.596 bonds (distance) P-C4' energy: -89.831 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -142.164 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1559.164269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.164269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.164269 (E_RNA) where: Base-Base interactions energy: -1082.909 where: short stacking energy: -494.964 Base-Backbone interact. energy: -1.169 local terms energy: -475.085989 where: bonds (distance) C4'-P energy: -87.866 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -109.807 flat angles P-C4'-P energy: -62.432 tors. eta vs tors. theta energy: -127.730 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: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1494.559704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.559704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.559704 (E_RNA) where: Base-Base interactions energy: -1013.889 where: short stacking energy: -412.458 Base-Backbone interact. energy: -3.462 local terms energy: -477.208316 where: bonds (distance) C4'-P energy: -103.671 bonds (distance) P-C4' energy: -90.106 flat angles C4'-P-C4' energy: -96.683 flat angles P-C4'-P energy: -66.474 tors. eta vs tors. theta energy: -120.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1341.030095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.030095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.030095 (E_RNA) where: Base-Base interactions energy: -891.462 where: short stacking energy: -371.909 Base-Backbone interact. energy: -3.048 local terms energy: -446.519648 where: bonds (distance) C4'-P energy: -88.780 bonds (distance) P-C4' energy: -90.003 flat angles C4'-P-C4' energy: -95.283 flat angles P-C4'-P energy: -70.803 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: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1403.339613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.339613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.339613 (E_RNA) where: Base-Base interactions energy: -1003.034 where: short stacking energy: -420.223 Base-Backbone interact. energy: 0.981 local terms energy: -401.286096 where: bonds (distance) C4'-P energy: -82.229 bonds (distance) P-C4' energy: -76.679 flat angles C4'-P-C4' energy: -88.771 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -102.154 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: 98 Temperature: 1.150000 Total energy: -1313.869638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.869638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.869638 (E_RNA) where: Base-Base interactions energy: -912.810 where: short stacking energy: -405.194 Base-Backbone interact. energy: -0.691 local terms energy: -400.368570 where: bonds (distance) C4'-P energy: -85.428 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -88.371 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -99.073 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1082.340795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.340795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.340795 (E_RNA) where: Base-Base interactions energy: -694.318 where: short stacking energy: -316.117 Base-Backbone interact. energy: -0.787 local terms energy: -387.236129 where: bonds (distance) C4'-P energy: -82.188 bonds (distance) P-C4' energy: -69.041 flat angles C4'-P-C4' energy: -94.329 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: -76.743 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: 98 Temperature: 1.250000 Total energy: -903.383799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.383799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.383799 (E_RNA) where: Base-Base interactions energy: -563.752 where: short stacking energy: -238.236 Base-Backbone interact. energy: -0.412 local terms energy: -339.220153 where: bonds (distance) C4'-P energy: -83.330 bonds (distance) P-C4' energy: -78.134 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -54.004 tors. eta vs tors. theta energy: -33.980 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -683.297099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.297099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.297099 (E_RNA) where: Base-Base interactions energy: -396.212 where: short stacking energy: -216.225 Base-Backbone interact. energy: 1.484 local terms energy: -288.569456 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -72.662 flat angles P-C4'-P energy: -55.156 tors. eta vs tors. theta energy: -27.140 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: 98 Temperature: 1.350000 Total energy: -487.074552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.074552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.074552 (E_RNA) where: Base-Base interactions energy: -223.702 where: short stacking energy: -153.403 Base-Backbone interact. energy: -1.948 local terms energy: -261.424521 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -69.971 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -45.818 tors. eta vs tors. theta energy: 0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1619.152007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.152007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.152007 (E_RNA) where: Base-Base interactions energy: -1115.778 where: short stacking energy: -482.657 Base-Backbone interact. energy: -1.820 local terms energy: -501.554378 where: bonds (distance) C4'-P energy: -91.538 bonds (distance) P-C4' energy: -98.178 flat angles C4'-P-C4' energy: -115.295 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: -131.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1536.606459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.606459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.606459 (E_RNA) where: Base-Base interactions energy: -1073.169 where: short stacking energy: -451.135 Base-Backbone interact. energy: -0.868 local terms energy: -462.570275 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -95.247 flat angles C4'-P-C4' energy: -99.315 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -119.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1530.563485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.563485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.563485 (E_RNA) where: Base-Base interactions energy: -1042.408 where: short stacking energy: -462.844 Base-Backbone interact. energy: -4.641 local terms energy: -483.514513 where: bonds (distance) C4'-P energy: -85.718 bonds (distance) P-C4' energy: -93.244 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -72.645 tors. eta vs tors. theta energy: -124.545 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: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1336.707284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.707284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.707284 (E_RNA) where: Base-Base interactions energy: -906.254 where: short stacking energy: -394.397 Base-Backbone interact. energy: -2.388 local terms energy: -428.065360 where: bonds (distance) C4'-P energy: -79.099 bonds (distance) P-C4' energy: -100.973 flat angles C4'-P-C4' energy: -101.073 flat angles P-C4'-P energy: -54.575 tors. eta vs tors. theta energy: -92.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1436.123672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.123672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.123672 (E_RNA) where: Base-Base interactions energy: -1011.096 where: short stacking energy: -419.633 Base-Backbone interact. energy: -2.634 local terms energy: -422.393449 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -77.523 flat angles C4'-P-C4' energy: -99.035 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -99.826 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: 99 Temperature: 1.150000 Total energy: -1300.967844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.967844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.967844 (E_RNA) where: Base-Base interactions energy: -904.267 where: short stacking energy: -376.639 Base-Backbone interact. energy: -1.021 local terms energy: -395.679357 where: bonds (distance) C4'-P energy: -65.926 bonds (distance) P-C4' energy: -84.289 flat angles C4'-P-C4' energy: -94.794 flat angles P-C4'-P energy: -53.316 tors. eta vs tors. theta energy: -97.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1157.308521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.308521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.308521 (E_RNA) where: Base-Base interactions energy: -754.532 where: short stacking energy: -324.307 Base-Backbone interact. energy: -3.994 local terms energy: -398.782854 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -99.805 flat angles C4'-P-C4' energy: -94.212 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -68.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1000.990181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.990181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.990181 (E_RNA) where: Base-Base interactions energy: -662.592 where: short stacking energy: -299.898 Base-Backbone interact. energy: 0.887 local terms energy: -339.285024 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -55.365 tors. eta vs tors. theta energy: -71.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -667.201357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.201357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.201357 (E_RNA) where: Base-Base interactions energy: -370.690 where: short stacking energy: -190.207 Base-Backbone interact. energy: 7.667 local terms energy: -304.178309 where: bonds (distance) C4'-P energy: -82.265 bonds (distance) P-C4' energy: -82.748 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -50.164 tors. eta vs tors. theta energy: -12.011 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: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -484.653204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.653204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.653204 (E_RNA) where: Base-Base interactions energy: -226.094 where: short stacking energy: -134.487 Base-Backbone interact. energy: -1.381 local terms energy: -257.178185 where: bonds (distance) C4'-P energy: -75.064 bonds (distance) P-C4' energy: -69.880 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -39.813 tors. eta vs tors. theta energy: 10.447 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: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1645.012992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.012992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.012992 (E_RNA) where: Base-Base interactions energy: -1131.884 where: short stacking energy: -504.146 Base-Backbone interact. energy: -1.438 local terms energy: -511.691365 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -99.148 flat angles C4'-P-C4' energy: -109.124 flat angles P-C4'-P energy: -75.155 tors. eta vs tors. theta energy: -133.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1531.258668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.258668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.258668 (E_RNA) where: Base-Base interactions energy: -1062.021 where: short stacking energy: -439.043 Base-Backbone interact. energy: -4.278 local terms energy: -464.960129 where: bonds (distance) C4'-P energy: -93.328 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -108.460 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -119.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1504.086347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.086347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.086347 (E_RNA) where: Base-Base interactions energy: -1034.310 where: short stacking energy: -457.125 Base-Backbone interact. energy: -4.227 local terms energy: -465.548737 where: bonds (distance) C4'-P energy: -77.419 bonds (distance) P-C4' energy: -97.930 flat angles C4'-P-C4' energy: -94.935 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -128.432 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: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1331.312016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.312016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.312016 (E_RNA) where: Base-Base interactions energy: -898.811 where: short stacking energy: -379.448 Base-Backbone interact. energy: -6.107 local terms energy: -426.393929 where: bonds (distance) C4'-P energy: -88.551 bonds (distance) P-C4' energy: -92.085 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: -103.336 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: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1444.463188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.463188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.463188 (E_RNA) where: Base-Base interactions energy: -1014.867 where: short stacking energy: -423.300 Base-Backbone interact. energy: -2.682 local terms energy: -426.913952 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -95.296 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -107.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1286.806587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.806587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.806587 (E_RNA) where: Base-Base interactions energy: -879.555 where: short stacking energy: -383.694 Base-Backbone interact. energy: 3.682 local terms energy: -410.934510 where: bonds (distance) C4'-P energy: -73.999 bonds (distance) P-C4' energy: -92.161 flat angles C4'-P-C4' energy: -95.283 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: -91.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1145.453290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.453290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.453290 (E_RNA) where: Base-Base interactions energy: -749.069 where: short stacking energy: -346.978 Base-Backbone interact. energy: -3.326 local terms energy: -393.058731 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -91.911 flat angles C4'-P-C4' energy: -84.863 flat angles P-C4'-P energy: -54.693 tors. eta vs tors. theta energy: -78.190 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: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1036.351094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.351094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.351094 (E_RNA) where: Base-Base interactions energy: -681.914 where: short stacking energy: -303.305 Base-Backbone interact. energy: -2.473 local terms energy: -351.963715 where: bonds (distance) C4'-P energy: -90.095 bonds (distance) P-C4' energy: -81.838 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -36.064 tors. eta vs tors. theta energy: -64.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -727.227995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.227995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.227995 (E_RNA) where: Base-Base interactions energy: -411.658 where: short stacking energy: -251.497 Base-Backbone interact. energy: -1.195 local terms energy: -314.375281 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -69.463 flat angles C4'-P-C4' energy: -73.025 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -42.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -540.471236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.471236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.471236 (E_RNA) where: Base-Base interactions energy: -293.685 where: short stacking energy: -161.922 Base-Backbone interact. energy: -1.328 local terms energy: -245.458958 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -67.896 flat angles P-C4'-P energy: -30.431 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1669.866142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.866142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.866142 (E_RNA) where: Base-Base interactions energy: -1153.207 where: short stacking energy: -508.424 Base-Backbone interact. energy: -0.630 local terms energy: -516.028237 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -103.968 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -60.455 tors. eta vs tors. theta energy: -140.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1567.566689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.566689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.566689 (E_RNA) where: Base-Base interactions energy: -1073.705 where: short stacking energy: -474.366 Base-Backbone interact. energy: -2.363 local terms energy: -491.498777 where: bonds (distance) C4'-P energy: -84.997 bonds (distance) P-C4' energy: -81.975 flat angles C4'-P-C4' energy: -113.788 flat angles P-C4'-P energy: -78.576 tors. eta vs tors. theta energy: -132.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1518.212922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.212922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.212922 (E_RNA) where: Base-Base interactions energy: -1044.212 where: short stacking energy: -430.593 Base-Backbone interact. energy: -5.732 local terms energy: -468.268862 where: bonds (distance) C4'-P energy: -90.030 bonds (distance) P-C4' energy: -94.880 flat angles C4'-P-C4' energy: -90.850 flat angles P-C4'-P energy: -71.061 tors. eta vs tors. theta energy: -121.448 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: 101 Temperature: 1.050000 Total energy: -1488.298304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.298304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.298304 (E_RNA) where: Base-Base interactions energy: -1046.418 where: short stacking energy: -455.765 Base-Backbone interact. energy: -4.083 local terms energy: -437.797482 where: bonds (distance) C4'-P energy: -88.936 bonds (distance) P-C4' energy: -76.691 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -55.456 tors. eta vs tors. theta energy: -113.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1328.710980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.710980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.710980 (E_RNA) where: Base-Base interactions energy: -903.746 where: short stacking energy: -411.986 Base-Backbone interact. energy: -2.105 local terms energy: -422.859598 where: bonds (distance) C4'-P energy: -83.479 bonds (distance) P-C4' energy: -80.127 flat angles C4'-P-C4' energy: -96.218 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -104.149 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: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1326.431599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.431599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.431599 (E_RNA) where: Base-Base interactions energy: -921.413 where: short stacking energy: -427.199 Base-Backbone interact. energy: 3.842 local terms energy: -408.860598 where: bonds (distance) C4'-P energy: -86.053 bonds (distance) P-C4' energy: -77.670 flat angles C4'-P-C4' energy: -94.491 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -100.209 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: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1189.262553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.262553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.262553 (E_RNA) where: Base-Base interactions energy: -820.183 where: short stacking energy: -347.594 Base-Backbone interact. energy: 5.877 local terms energy: -374.957396 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -80.432 flat angles C4'-P-C4' energy: -86.147 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -67.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1027.103101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.103101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.103101 (E_RNA) where: Base-Base interactions energy: -692.448 where: short stacking energy: -296.387 Base-Backbone interact. energy: -5.800 local terms energy: -328.854407 where: bonds (distance) C4'-P energy: -82.959 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -80.837 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -56.167 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: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -693.427084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.427084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.427084 (E_RNA) where: Base-Base interactions energy: -380.884 where: short stacking energy: -206.015 Base-Backbone interact. energy: -1.259 local terms energy: -311.284724 where: bonds (distance) C4'-P energy: -80.380 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -74.562 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -36.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -544.341860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.341860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.341860 (E_RNA) where: Base-Base interactions energy: -295.531 where: short stacking energy: -168.718 Base-Backbone interact. energy: -1.331 local terms energy: -247.479991 where: bonds (distance) C4'-P energy: -61.220 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -73.362 flat angles P-C4'-P energy: -32.147 tors. eta vs tors. theta energy: -14.149 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: 102 Temperature: 0.900000 Total energy: -1649.840744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.840744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.840744 (E_RNA) where: Base-Base interactions energy: -1143.403 where: short stacking energy: -499.304 Base-Backbone interact. energy: -1.610 local terms energy: -504.827648 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -104.268 flat angles C4'-P-C4' energy: -103.688 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -138.131 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: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1571.149459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.149459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.149459 (E_RNA) where: Base-Base interactions energy: -1090.601 where: short stacking energy: -487.839 Base-Backbone interact. energy: 0.210 local terms energy: -480.758314 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -95.626 flat angles C4'-P-C4' energy: -107.008 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -127.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1515.658375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.658375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.658375 (E_RNA) where: Base-Base interactions energy: -1050.928 where: short stacking energy: -433.510 Base-Backbone interact. energy: -2.664 local terms energy: -462.066615 where: bonds (distance) C4'-P energy: -90.808 bonds (distance) P-C4' energy: -90.602 flat angles C4'-P-C4' energy: -102.005 flat angles P-C4'-P energy: -65.247 tors. eta vs tors. theta energy: -113.405 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1493.891837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.891837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.891837 (E_RNA) where: Base-Base interactions energy: -1048.148 where: short stacking energy: -435.206 Base-Backbone interact. energy: -2.997 local terms energy: -442.745998 where: bonds (distance) C4'-P energy: -83.386 bonds (distance) P-C4' energy: -89.948 flat angles C4'-P-C4' energy: -90.914 flat angles P-C4'-P energy: -58.051 tors. eta vs tors. theta energy: -120.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1340.744307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.744307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.744307 (E_RNA) where: Base-Base interactions energy: -936.751 where: short stacking energy: -396.308 Base-Backbone interact. energy: -1.856 local terms energy: -402.136581 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -82.040 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -95.257 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: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1281.487523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.487523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.487523 (E_RNA) where: Base-Base interactions energy: -864.645 where: short stacking energy: -406.088 Base-Backbone interact. energy: -0.598 local terms energy: -416.245379 where: bonds (distance) C4'-P energy: -90.653 bonds (distance) P-C4' energy: -80.541 flat angles C4'-P-C4' energy: -94.321 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -102.520 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: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1093.266804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.266804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.266804 (E_RNA) where: Base-Base interactions energy: -731.593 where: short stacking energy: -315.207 Base-Backbone interact. energy: -0.842 local terms energy: -360.831706 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -101.395 flat angles P-C4'-P energy: -52.920 tors. eta vs tors. theta energy: -53.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1005.572877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.572877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.572877 (E_RNA) where: Base-Base interactions energy: -682.891 where: short stacking energy: -314.933 Base-Backbone interact. energy: 0.038 local terms energy: -322.719845 where: bonds (distance) C4'-P energy: -59.660 bonds (distance) P-C4' energy: -58.033 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -45.856 tors. eta vs tors. theta energy: -66.041 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: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -747.216688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.216688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.216688 (E_RNA) where: Base-Base interactions energy: -442.453 where: short stacking energy: -227.747 Base-Backbone interact. energy: 0.557 local terms energy: -305.320466 where: bonds (distance) C4'-P energy: -68.571 bonds (distance) P-C4' energy: -81.865 flat angles C4'-P-C4' energy: -73.095 flat angles P-C4'-P energy: -53.077 tors. eta vs tors. theta energy: -28.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -469.088520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.088520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.088520 (E_RNA) where: Base-Base interactions energy: -231.401 where: short stacking energy: -156.385 Base-Backbone interact. energy: -1.601 local terms energy: -236.086716 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -66.744 flat angles P-C4'-P energy: -28.488 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1650.837034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.837034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.837034 (E_RNA) where: Base-Base interactions energy: -1147.031 where: short stacking energy: -493.722 Base-Backbone interact. energy: -3.780 local terms energy: -500.026409 where: bonds (distance) C4'-P energy: -91.670 bonds (distance) P-C4' energy: -103.439 flat angles C4'-P-C4' energy: -106.051 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -132.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1555.364903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.364903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.364903 (E_RNA) where: Base-Base interactions energy: -1096.565 where: short stacking energy: -457.787 Base-Backbone interact. energy: -1.648 local terms energy: -457.152548 where: bonds (distance) C4'-P energy: -93.567 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -93.496 flat angles P-C4'-P energy: -66.815 tors. eta vs tors. theta energy: -122.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1525.846037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.846037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.846037 (E_RNA) where: Base-Base interactions energy: -1067.365 where: short stacking energy: -477.054 Base-Backbone interact. energy: 0.019 local terms energy: -458.500703 where: bonds (distance) C4'-P energy: -82.629 bonds (distance) P-C4' energy: -88.183 flat angles C4'-P-C4' energy: -102.613 flat angles P-C4'-P energy: -58.457 tors. eta vs tors. theta energy: -126.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1470.919956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.919956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.919956 (E_RNA) where: Base-Base interactions energy: -1023.313 where: short stacking energy: -440.133 Base-Backbone interact. energy: -0.058 local terms energy: -447.548491 where: bonds (distance) C4'-P energy: -80.384 bonds (distance) P-C4' energy: -88.065 flat angles C4'-P-C4' energy: -89.026 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -126.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1406.880506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.880506 (E_RNA) where: Base-Base interactions energy: -985.583 where: short stacking energy: -419.262 Base-Backbone interact. energy: 1.196 local terms energy: -422.493651 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -76.996 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -56.067 tors. eta vs tors. theta energy: -111.328 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: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1255.992463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.992463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.992463 (E_RNA) where: Base-Base interactions energy: -851.181 where: short stacking energy: -374.225 Base-Backbone interact. energy: -1.858 local terms energy: -402.953273 where: bonds (distance) C4'-P energy: -91.788 bonds (distance) P-C4' energy: -74.760 flat angles C4'-P-C4' energy: -85.874 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1127.169615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.169615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.169615 (E_RNA) where: Base-Base interactions energy: -773.897 where: short stacking energy: -335.223 Base-Backbone interact. energy: -2.740 local terms energy: -350.532353 where: bonds (distance) C4'-P energy: -72.561 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -67.642 flat angles P-C4'-P energy: -56.701 tors. eta vs tors. theta energy: -60.966 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: 103 Temperature: 1.250000 Total energy: -987.789542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.789542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.789542 (E_RNA) where: Base-Base interactions energy: -639.503 where: short stacking energy: -275.619 Base-Backbone interact. energy: 5.764 local terms energy: -354.050277 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -80.568 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -51.528 tors. eta vs tors. theta energy: -47.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -716.123368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.123368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.123368 (E_RNA) where: Base-Base interactions energy: -423.360 where: short stacking energy: -211.955 Base-Backbone interact. energy: 1.152 local terms energy: -293.914792 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -80.599 flat angles C4'-P-C4' energy: -75.835 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -26.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -491.710397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.710397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.710397 (E_RNA) where: Base-Base interactions energy: -232.854 where: short stacking energy: -160.587 Base-Backbone interact. energy: 6.243 local terms energy: -265.099177 where: bonds (distance) C4'-P energy: -67.142 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -63.561 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1638.468641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.468641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.468641 (E_RNA) where: Base-Base interactions energy: -1144.849 where: short stacking energy: -491.376 Base-Backbone interact. energy: -2.136 local terms energy: -491.483584 where: bonds (distance) C4'-P energy: -81.404 bonds (distance) P-C4' energy: -82.795 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -146.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1561.831127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.831127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.831127 (E_RNA) where: Base-Base interactions energy: -1095.869 where: short stacking energy: -464.622 Base-Backbone interact. energy: -3.596 local terms energy: -462.366178 where: bonds (distance) C4'-P energy: -88.133 bonds (distance) P-C4' energy: -101.082 flat angles C4'-P-C4' energy: -105.934 flat angles P-C4'-P energy: -54.122 tors. eta vs tors. theta energy: -113.094 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1521.495419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.495419 (E_RNA) where: Base-Base interactions energy: -1053.546 where: short stacking energy: -435.507 Base-Backbone interact. energy: 0.605 local terms energy: -468.554848 where: bonds (distance) C4'-P energy: -78.392 bonds (distance) P-C4' energy: -99.058 flat angles C4'-P-C4' energy: -106.916 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: -116.520 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: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1473.751780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.751780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.751780 (E_RNA) where: Base-Base interactions energy: -1042.257 where: short stacking energy: -429.218 Base-Backbone interact. energy: -3.362 local terms energy: -428.132879 where: bonds (distance) C4'-P energy: -81.294 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -99.788 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -119.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1339.803850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.803850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.803850 (E_RNA) where: Base-Base interactions energy: -908.464 where: short stacking energy: -386.208 Base-Backbone interact. energy: -1.742 local terms energy: -429.598368 where: bonds (distance) C4'-P energy: -84.536 bonds (distance) P-C4' energy: -92.434 flat angles C4'-P-C4' energy: -92.909 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: -98.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1288.177781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.177781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.177781 (E_RNA) where: Base-Base interactions energy: -888.830 where: short stacking energy: -362.904 Base-Backbone interact. energy: -2.916 local terms energy: -396.431068 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -76.371 flat angles C4'-P-C4' energy: -85.757 flat angles P-C4'-P energy: -67.386 tors. eta vs tors. theta energy: -94.005 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1086.029987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.029987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.029987 (E_RNA) where: Base-Base interactions energy: -720.233 where: short stacking energy: -330.958 Base-Backbone interact. energy: 1.848 local terms energy: -367.644614 where: bonds (distance) C4'-P energy: -63.687 bonds (distance) P-C4' energy: -94.147 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -51.356 tors. eta vs tors. theta energy: -72.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1011.204766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.204766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.204766 (E_RNA) where: Base-Base interactions energy: -670.800 where: short stacking energy: -295.374 Base-Backbone interact. energy: 4.095 local terms energy: -344.499176 where: bonds (distance) C4'-P energy: -82.067 bonds (distance) P-C4' energy: -72.821 flat angles C4'-P-C4' energy: -87.491 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -62.437 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: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -750.388226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.388226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.388226 (E_RNA) where: Base-Base interactions energy: -431.576 where: short stacking energy: -228.033 Base-Backbone interact. energy: 3.087 local terms energy: -321.899050 where: bonds (distance) C4'-P energy: -72.969 bonds (distance) P-C4' energy: -82.575 flat angles C4'-P-C4' energy: -72.343 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -34.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -495.178462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.178462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.178462 (E_RNA) where: Base-Base interactions energy: -262.065 where: short stacking energy: -159.379 Base-Backbone interact. energy: 5.265 local terms energy: -238.377744 where: bonds (distance) C4'-P energy: -75.331 bonds (distance) P-C4' energy: -66.758 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -27.811 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1640.554153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.554153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.554153 (E_RNA) where: Base-Base interactions energy: -1167.948 where: short stacking energy: -499.640 Base-Backbone interact. energy: -2.533 local terms energy: -470.072784 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -97.772 flat angles C4'-P-C4' energy: -102.694 flat angles P-C4'-P energy: -53.014 tors. eta vs tors. theta energy: -120.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1562.355229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.355229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.355229 (E_RNA) where: Base-Base interactions energy: -1085.436 where: short stacking energy: -441.517 Base-Backbone interact. energy: -2.197 local terms energy: -474.722897 where: bonds (distance) C4'-P energy: -96.056 bonds (distance) P-C4' energy: -91.400 flat angles C4'-P-C4' energy: -99.341 flat angles P-C4'-P energy: -72.991 tors. eta vs tors. theta energy: -114.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1529.814308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.814308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.814308 (E_RNA) where: Base-Base interactions energy: -1042.234 where: short stacking energy: -462.393 Base-Backbone interact. energy: -2.786 local terms energy: -484.795008 where: bonds (distance) C4'-P energy: -86.920 bonds (distance) P-C4' energy: -94.489 flat angles C4'-P-C4' energy: -101.880 flat angles P-C4'-P energy: -77.518 tors. eta vs tors. theta energy: -123.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1506.846317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.846317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.846317 (E_RNA) where: Base-Base interactions energy: -1060.143 where: short stacking energy: -439.368 Base-Backbone interact. energy: -4.548 local terms energy: -442.154333 where: bonds (distance) C4'-P energy: -86.206 bonds (distance) P-C4' energy: -71.914 flat angles C4'-P-C4' energy: -98.843 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -121.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1349.566584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.566584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.566584 (E_RNA) where: Base-Base interactions energy: -931.974 where: short stacking energy: -402.214 Base-Backbone interact. energy: -6.065 local terms energy: -411.528063 where: bonds (distance) C4'-P energy: -84.143 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -83.516 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -97.793 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: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1271.476536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.476536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.476536 (E_RNA) where: Base-Base interactions energy: -896.474 where: short stacking energy: -372.474 Base-Backbone interact. energy: -2.728 local terms energy: -372.275204 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -84.674 flat angles C4'-P-C4' energy: -70.305 flat angles P-C4'-P energy: -48.866 tors. eta vs tors. theta energy: -90.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1049.576784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.576784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.576784 (E_RNA) where: Base-Base interactions energy: -667.067 where: short stacking energy: -303.327 Base-Backbone interact. energy: -0.898 local terms energy: -381.611206 where: bonds (distance) C4'-P energy: -82.785 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -79.450 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: -74.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -974.365819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.365819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.365819 (E_RNA) where: Base-Base interactions energy: -639.055 where: short stacking energy: -287.817 Base-Backbone interact. energy: 0.652 local terms energy: -335.962838 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -75.802 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -63.278 tors. eta vs tors. theta energy: -58.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -774.196201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.196201 (E_RNA) where: Base-Base interactions energy: -420.186 where: short stacking energy: -212.704 Base-Backbone interact. energy: -1.929 local terms energy: -352.081303 where: bonds (distance) C4'-P energy: -73.373 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -91.390 flat angles P-C4'-P energy: -66.768 tors. eta vs tors. theta energy: -24.284 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: 105 Temperature: 1.350000 Total energy: -485.528677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.528677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.528677 (E_RNA) where: Base-Base interactions energy: -207.197 where: short stacking energy: -127.493 Base-Backbone interact. energy: 0.017 local terms energy: -278.349530 where: bonds (distance) C4'-P energy: -76.396 bonds (distance) P-C4' energy: -92.223 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -47.842 tors. eta vs tors. theta energy: 10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1603.422896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.422896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.422896 (E_RNA) where: Base-Base interactions energy: -1109.095 where: short stacking energy: -457.355 Base-Backbone interact. energy: -0.774 local terms energy: -493.554233 where: bonds (distance) C4'-P energy: -98.645 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -65.457 tors. eta vs tors. theta energy: -119.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1612.945180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.945180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.945180 (E_RNA) where: Base-Base interactions energy: -1104.195 where: short stacking energy: -482.744 Base-Backbone interact. energy: -2.200 local terms energy: -506.550527 where: bonds (distance) C4'-P energy: -93.564 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -130.937 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: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1526.687333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.687333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.687333 (E_RNA) where: Base-Base interactions energy: -1046.692 where: short stacking energy: -461.745 Base-Backbone interact. energy: -1.884 local terms energy: -478.110884 where: bonds (distance) C4'-P energy: -100.730 bonds (distance) P-C4' energy: -90.088 flat angles C4'-P-C4' energy: -93.586 flat angles P-C4'-P energy: -61.513 tors. eta vs tors. theta energy: -132.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1484.945942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.945942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.945942 (E_RNA) where: Base-Base interactions energy: -1052.149 where: short stacking energy: -432.601 Base-Backbone interact. energy: -1.759 local terms energy: -431.038562 where: bonds (distance) C4'-P energy: -85.556 bonds (distance) P-C4' energy: -84.807 flat angles C4'-P-C4' energy: -89.033 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -113.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1419.106262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.106262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.106262 (E_RNA) where: Base-Base interactions energy: -1004.771 where: short stacking energy: -410.853 Base-Backbone interact. energy: -2.078 local terms energy: -412.257702 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -81.439 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -62.172 tors. eta vs tors. theta energy: -99.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1296.294779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.294779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.294779 (E_RNA) where: Base-Base interactions energy: -900.795 where: short stacking energy: -396.482 Base-Backbone interact. energy: 3.468 local terms energy: -398.968137 where: bonds (distance) C4'-P energy: -75.674 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -89.531 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -99.292 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: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1052.394472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.394472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.394472 (E_RNA) where: Base-Base interactions energy: -684.468 where: short stacking energy: -284.747 Base-Backbone interact. energy: 0.178 local terms energy: -368.104500 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -96.691 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -69.680 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: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -994.276495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.276495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.276495 (E_RNA) where: Base-Base interactions energy: -636.721 where: short stacking energy: -268.440 Base-Backbone interact. energy: 5.118 local terms energy: -362.673365 where: bonds (distance) C4'-P energy: -68.260 bonds (distance) P-C4' energy: -77.677 flat angles C4'-P-C4' energy: -97.598 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -55.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -724.717617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.717617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.717617 (E_RNA) where: Base-Base interactions energy: -411.951 where: short stacking energy: -212.654 Base-Backbone interact. energy: 0.644 local terms energy: -313.409974 where: bonds (distance) C4'-P energy: -72.789 bonds (distance) P-C4' energy: -76.549 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -35.789 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: 106 Temperature: 1.350000 Total energy: -498.582085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.582085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.582085 (E_RNA) where: Base-Base interactions energy: -228.118 where: short stacking energy: -146.911 Base-Backbone interact. energy: -0.218 local terms energy: -270.246907 where: bonds (distance) C4'-P energy: -61.603 bonds (distance) P-C4' energy: -70.003 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1594.124627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.124627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.124627 (E_RNA) where: Base-Base interactions energy: -1110.260 where: short stacking energy: -445.206 Base-Backbone interact. energy: -2.485 local terms energy: -481.378936 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -105.795 flat angles C4'-P-C4' energy: -101.416 flat angles P-C4'-P energy: -61.522 tors. eta vs tors. theta energy: -109.389 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: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1629.504112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.504112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.504112 (E_RNA) where: Base-Base interactions energy: -1127.285 where: short stacking energy: -469.511 Base-Backbone interact. energy: -3.212 local terms energy: -499.007058 where: bonds (distance) C4'-P energy: -98.697 bonds (distance) P-C4' energy: -95.171 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -70.743 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: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1516.211677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.211677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.211677 (E_RNA) where: Base-Base interactions energy: -1048.133 where: short stacking energy: -454.394 Base-Backbone interact. energy: -0.062 local terms energy: -468.017592 where: bonds (distance) C4'-P energy: -84.949 bonds (distance) P-C4' energy: -86.950 flat angles C4'-P-C4' energy: -101.025 flat angles P-C4'-P energy: -73.027 tors. eta vs tors. theta energy: -122.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1524.390805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.390805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.390805 (E_RNA) where: Base-Base interactions energy: -1079.060 where: short stacking energy: -446.039 Base-Backbone interact. energy: -3.277 local terms energy: -442.053183 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -88.847 flat angles C4'-P-C4' energy: -97.274 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -118.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1371.890050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.890050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.890050 (E_RNA) where: Base-Base interactions energy: -946.877 where: short stacking energy: -396.402 Base-Backbone interact. energy: -0.533 local terms energy: -424.480324 where: bonds (distance) C4'-P energy: -77.137 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -101.222 flat angles P-C4'-P energy: -62.065 tors. eta vs tors. theta energy: -94.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1217.972571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.972571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.972571 (E_RNA) where: Base-Base interactions energy: -829.508 where: short stacking energy: -354.304 Base-Backbone interact. energy: 3.708 local terms energy: -392.172428 where: bonds (distance) C4'-P energy: -85.741 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -85.255 flat angles P-C4'-P energy: -57.877 tors. eta vs tors. theta energy: -77.523 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: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1054.245590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.245590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.245590 (E_RNA) where: Base-Base interactions energy: -715.853 where: short stacking energy: -320.322 Base-Backbone interact. energy: 2.521 local terms energy: -340.913845 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -87.077 flat angles C4'-P-C4' energy: -80.516 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: -61.636 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: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1005.600647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.600647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.600647 (E_RNA) where: Base-Base interactions energy: -650.518 where: short stacking energy: -291.821 Base-Backbone interact. energy: -0.208 local terms energy: -354.874508 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -86.265 flat angles P-C4'-P energy: -55.743 tors. eta vs tors. theta energy: -74.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -697.846807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.846807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.846807 (E_RNA) where: Base-Base interactions energy: -408.730 where: short stacking energy: -192.102 Base-Backbone interact. energy: 4.862 local terms energy: -293.979108 where: bonds (distance) C4'-P energy: -66.985 bonds (distance) P-C4' energy: -89.044 flat angles C4'-P-C4' energy: -78.571 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -5.648 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: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -564.000897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.000897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.000897 (E_RNA) where: Base-Base interactions energy: -270.214 where: short stacking energy: -173.663 Base-Backbone interact. energy: 1.652 local terms energy: -295.439386 where: bonds (distance) C4'-P energy: -77.158 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -84.156 flat angles P-C4'-P energy: -41.878 tors. eta vs tors. theta energy: -22.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1610.060211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.060211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.060211 (E_RNA) where: Base-Base interactions energy: -1126.829 where: short stacking energy: -443.158 Base-Backbone interact. energy: -0.972 local terms energy: -482.259239 where: bonds (distance) C4'-P energy: -87.338 bonds (distance) P-C4' energy: -110.297 flat angles C4'-P-C4' energy: -111.457 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -118.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1619.888163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.888163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.888163 (E_RNA) where: Base-Base interactions energy: -1129.605 where: short stacking energy: -485.290 Base-Backbone interact. energy: -0.957 local terms energy: -489.326441 where: bonds (distance) C4'-P energy: -90.682 bonds (distance) P-C4' energy: -93.581 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -131.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1500.837276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.837276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.837276 (E_RNA) where: Base-Base interactions energy: -1019.424 where: short stacking energy: -445.442 Base-Backbone interact. energy: -0.246 local terms energy: -481.167960 where: bonds (distance) C4'-P energy: -88.866 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -105.502 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -116.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1506.476148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.476148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.476148 (E_RNA) where: Base-Base interactions energy: -1049.415 where: short stacking energy: -412.809 Base-Backbone interact. energy: 0.235 local terms energy: -457.295898 where: bonds (distance) C4'-P energy: -86.100 bonds (distance) P-C4' energy: -90.854 flat angles C4'-P-C4' energy: -92.575 flat angles P-C4'-P energy: -74.164 tors. eta vs tors. theta energy: -113.602 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: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1331.116710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.116710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.116710 (E_RNA) where: Base-Base interactions energy: -913.047 where: short stacking energy: -387.021 Base-Backbone interact. energy: -1.825 local terms energy: -416.244082 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -88.372 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -62.303 tors. eta vs tors. theta energy: -95.106 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: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1287.290501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.290501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.290501 (E_RNA) where: Base-Base interactions energy: -862.380 where: short stacking energy: -386.931 Base-Backbone interact. energy: 2.279 local terms energy: -427.189173 where: bonds (distance) C4'-P energy: -74.459 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -99.217 flat angles P-C4'-P energy: -71.414 tors. eta vs tors. theta energy: -95.340 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: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1093.338438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.338438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.338438 (E_RNA) where: Base-Base interactions energy: -750.286 where: short stacking energy: -311.379 Base-Backbone interact. energy: 1.495 local terms energy: -344.547221 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -79.107 flat angles C4'-P-C4' energy: -92.607 flat angles P-C4'-P energy: -48.520 tors. eta vs tors. theta energy: -65.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -998.094735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.094735 (E_RNA) where: Base-Base interactions energy: -655.795 where: short stacking energy: -295.314 Base-Backbone interact. energy: 2.562 local terms energy: -344.861796 where: bonds (distance) C4'-P energy: -74.940 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -46.472 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: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -678.998238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.998238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.998238 (E_RNA) where: Base-Base interactions energy: -360.174 where: short stacking energy: -181.816 Base-Backbone interact. energy: 1.877 local terms energy: -320.701059 where: bonds (distance) C4'-P energy: -81.389 bonds (distance) P-C4' energy: -61.467 flat angles C4'-P-C4' energy: -92.792 flat angles P-C4'-P energy: -60.506 tors. eta vs tors. theta energy: -24.547 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: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -576.200934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.200934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.200934 (E_RNA) where: Base-Base interactions energy: -308.845 where: short stacking energy: -184.980 Base-Backbone interact. energy: 0.083 local terms energy: -267.439716 where: bonds (distance) C4'-P energy: -47.262 bonds (distance) P-C4' energy: -77.090 flat angles C4'-P-C4' energy: -77.386 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -19.340 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: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1618.893872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.893872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.893872 (E_RNA) where: Base-Base interactions energy: -1124.876 where: short stacking energy: -467.000 Base-Backbone interact. energy: -1.011 local terms energy: -493.006575 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -86.939 flat angles C4'-P-C4' energy: -116.160 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -122.568 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: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1597.995521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.995521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.995521 (E_RNA) where: Base-Base interactions energy: -1109.646 where: short stacking energy: -471.559 Base-Backbone interact. energy: -3.496 local terms energy: -484.853578 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -102.347 flat angles C4'-P-C4' energy: -108.902 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: -130.886 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: 109 Temperature: 1.000000 Total energy: -1495.876278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.876278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.876278 (E_RNA) where: Base-Base interactions energy: -1034.575 where: short stacking energy: -430.580 Base-Backbone interact. energy: -1.326 local terms energy: -459.975337 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -89.905 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -72.384 tors. eta vs tors. theta energy: -121.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1489.426537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.426537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.426537 (E_RNA) where: Base-Base interactions energy: -1038.495 where: short stacking energy: -433.629 Base-Backbone interact. energy: -0.385 local terms energy: -450.546502 where: bonds (distance) C4'-P energy: -91.815 bonds (distance) P-C4' energy: -92.393 flat angles C4'-P-C4' energy: -94.189 flat angles P-C4'-P energy: -55.753 tors. eta vs tors. theta energy: -116.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1384.880563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.880563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.880563 (E_RNA) where: Base-Base interactions energy: -969.974 where: short stacking energy: -410.180 Base-Backbone interact. energy: 2.779 local terms energy: -417.685592 where: bonds (distance) C4'-P energy: -85.259 bonds (distance) P-C4' energy: -90.019 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -59.184 tors. eta vs tors. theta energy: -96.693 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: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1260.929793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.929793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.929793 (E_RNA) where: Base-Base interactions energy: -876.017 where: short stacking energy: -369.895 Base-Backbone interact. energy: -0.731 local terms energy: -384.181127 where: bonds (distance) C4'-P energy: -67.173 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -65.128 tors. eta vs tors. theta energy: -84.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1155.655529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.655529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.655529 (E_RNA) where: Base-Base interactions energy: -791.852 where: short stacking energy: -316.461 Base-Backbone interact. energy: -2.835 local terms energy: -360.968101 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -84.102 flat angles P-C4'-P energy: -58.771 tors. eta vs tors. theta energy: -79.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -959.008252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.008252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.008252 (E_RNA) where: Base-Base interactions energy: -614.235 where: short stacking energy: -297.739 Base-Backbone interact. energy: 0.963 local terms energy: -345.736256 where: bonds (distance) C4'-P energy: -74.766 bonds (distance) P-C4' energy: -86.344 flat angles C4'-P-C4' energy: -72.626 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -53.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -666.189895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.189895 (E_RNA) where: Base-Base interactions energy: -352.114 where: short stacking energy: -193.902 Base-Backbone interact. energy: -1.819 local terms energy: -312.256970 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -89.603 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -52.593 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: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -544.842492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.842492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.842492 (E_RNA) where: Base-Base interactions energy: -285.177 where: short stacking energy: -141.316 Base-Backbone interact. energy: 6.882 local terms energy: -266.547064 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -85.499 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -34.819 tors. eta vs tors. theta energy: -11.872 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1606.287894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.287894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.287894 (E_RNA) where: Base-Base interactions energy: -1120.809 where: short stacking energy: -477.006 Base-Backbone interact. energy: -2.929 local terms energy: -482.550004 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -92.600 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -67.586 tors. eta vs tors. theta energy: -122.010 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: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1624.929440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.929440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.929440 (E_RNA) where: Base-Base interactions energy: -1116.100 where: short stacking energy: -486.274 Base-Backbone interact. energy: -5.326 local terms energy: -503.503759 where: bonds (distance) C4'-P energy: -103.054 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -109.854 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -136.240 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1515.213803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.213803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.213803 (E_RNA) where: Base-Base interactions energy: -1061.635 where: short stacking energy: -457.174 Base-Backbone interact. energy: -1.976 local terms energy: -451.602362 where: bonds (distance) C4'-P energy: -97.800 bonds (distance) P-C4' energy: -87.196 flat angles C4'-P-C4' energy: -83.082 flat angles P-C4'-P energy: -65.092 tors. eta vs tors. theta energy: -118.432 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: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1482.415240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.415240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.415240 (E_RNA) where: Base-Base interactions energy: -1041.936 where: short stacking energy: -424.180 Base-Backbone interact. energy: -4.339 local terms energy: -436.140306 where: bonds (distance) C4'-P energy: -79.431 bonds (distance) P-C4' energy: -94.718 flat angles C4'-P-C4' energy: -84.524 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -122.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1361.849050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.849050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.849050 (E_RNA) where: Base-Base interactions energy: -957.617 where: short stacking energy: -419.525 Base-Backbone interact. energy: -0.924 local terms energy: -403.307914 where: bonds (distance) C4'-P energy: -67.023 bonds (distance) P-C4' energy: -85.733 flat angles C4'-P-C4' energy: -91.368 flat angles P-C4'-P energy: -67.370 tors. eta vs tors. theta energy: -91.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1239.824343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.824343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.824343 (E_RNA) where: Base-Base interactions energy: -866.919 where: short stacking energy: -351.083 Base-Backbone interact. energy: -1.854 local terms energy: -371.051883 where: bonds (distance) C4'-P energy: -76.288 bonds (distance) P-C4' energy: -77.871 flat angles C4'-P-C4' energy: -79.247 flat angles P-C4'-P energy: -58.378 tors. eta vs tors. theta energy: -79.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1153.670327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.670327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.670327 (E_RNA) where: Base-Base interactions energy: -761.292 where: short stacking energy: -336.005 Base-Backbone interact. energy: -0.678 local terms energy: -391.700259 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -77.571 flat angles C4'-P-C4' energy: -93.720 flat angles P-C4'-P energy: -52.607 tors. eta vs tors. theta energy: -76.663 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: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1001.588687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.588687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.588687 (E_RNA) where: Base-Base interactions energy: -625.488 where: short stacking energy: -274.420 Base-Backbone interact. energy: 2.031 local terms energy: -378.131024 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -90.764 flat angles C4'-P-C4' energy: -82.345 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -69.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -623.413526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.413526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.413526 (E_RNA) where: Base-Base interactions energy: -351.768 where: short stacking energy: -182.573 Base-Backbone interact. energy: 6.724 local terms energy: -278.369349 where: bonds (distance) C4'-P energy: -76.427 bonds (distance) P-C4' energy: -80.902 flat angles C4'-P-C4' energy: -71.862 flat angles P-C4'-P energy: -30.082 tors. eta vs tors. theta energy: -19.097 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: 110 Temperature: 1.350000 Total energy: -533.908776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.908776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.908776 (E_RNA) where: Base-Base interactions energy: -266.120 where: short stacking energy: -152.106 Base-Backbone interact. energy: 0.067 local terms energy: -267.855003 where: bonds (distance) C4'-P energy: -79.296 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -67.985 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1619.828554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.828554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.828554 (E_RNA) where: Base-Base interactions energy: -1131.110 where: short stacking energy: -469.983 Base-Backbone interact. energy: -2.571 local terms energy: -486.147128 where: bonds (distance) C4'-P energy: -93.126 bonds (distance) P-C4' energy: -95.366 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -74.548 tors. eta vs tors. theta energy: -118.232 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: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1630.653876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.653876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.653876 (E_RNA) where: Base-Base interactions energy: -1122.917 where: short stacking energy: -498.810 Base-Backbone interact. energy: -1.814 local terms energy: -505.922346 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -87.927 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -150.677 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1515.888633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.888633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.888633 (E_RNA) where: Base-Base interactions energy: -1036.113 where: short stacking energy: -440.172 Base-Backbone interact. energy: -1.985 local terms energy: -477.790492 where: bonds (distance) C4'-P energy: -91.899 bonds (distance) P-C4' energy: -87.990 flat angles C4'-P-C4' energy: -99.781 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -125.356 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: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1440.337677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.337677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.337677 (E_RNA) where: Base-Base interactions energy: -1025.827 where: short stacking energy: -407.120 Base-Backbone interact. energy: -0.267 local terms energy: -414.243711 where: bonds (distance) C4'-P energy: -80.913 bonds (distance) P-C4' energy: -92.890 flat angles C4'-P-C4' energy: -89.402 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: -104.953 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: 111 Temperature: 1.100000 Total energy: -1347.999499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.999499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.999499 (E_RNA) where: Base-Base interactions energy: -929.419 where: short stacking energy: -399.048 Base-Backbone interact. energy: -2.121 local terms energy: -416.459762 where: bonds (distance) C4'-P energy: -71.856 bonds (distance) P-C4' energy: -94.175 flat angles C4'-P-C4' energy: -98.311 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -105.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1257.109733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.109733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.109733 (E_RNA) where: Base-Base interactions energy: -871.454 where: short stacking energy: -340.719 Base-Backbone interact. energy: -2.602 local terms energy: -383.053556 where: bonds (distance) C4'-P energy: -67.240 bonds (distance) P-C4' energy: -89.526 flat angles C4'-P-C4' energy: -85.877 flat angles P-C4'-P energy: -62.319 tors. eta vs tors. theta energy: -78.092 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: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1114.876014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.876014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.876014 (E_RNA) where: Base-Base interactions energy: -745.177 where: short stacking energy: -322.156 Base-Backbone interact. energy: -1.528 local terms energy: -368.170813 where: bonds (distance) C4'-P energy: -74.784 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -82.234 flat angles P-C4'-P energy: -55.949 tors. eta vs tors. theta energy: -69.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1040.693920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.693920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.693920 (E_RNA) where: Base-Base interactions energy: -677.120 where: short stacking energy: -273.911 Base-Backbone interact. energy: -3.163 local terms energy: -360.411076 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -74.022 flat angles P-C4'-P energy: -52.785 tors. eta vs tors. theta energy: -63.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -632.294282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.294282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.294282 (E_RNA) where: Base-Base interactions energy: -338.907 where: short stacking energy: -208.721 Base-Backbone interact. energy: -1.464 local terms energy: -291.923214 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -39.762 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -518.900373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.900373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.900373 (E_RNA) where: Base-Base interactions energy: -228.503 where: short stacking energy: -141.639 Base-Backbone interact. energy: -1.299 local terms energy: -289.099043 where: bonds (distance) C4'-P energy: -84.921 bonds (distance) P-C4' energy: -95.363 flat angles C4'-P-C4' energy: -68.814 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: -5.606 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1668.868799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.868799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.868799 (E_RNA) where: Base-Base interactions energy: -1149.255 where: short stacking energy: -501.007 Base-Backbone interact. energy: -2.607 local terms energy: -517.006893 where: bonds (distance) C4'-P energy: -99.294 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -110.114 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -144.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1584.308591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.308591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.308591 (E_RNA) where: Base-Base interactions energy: -1115.391 where: short stacking energy: -464.237 Base-Backbone interact. energy: -3.869 local terms energy: -465.048273 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -92.269 flat angles C4'-P-C4' energy: -95.763 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: -115.220 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: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1495.833057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.833057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.833057 (E_RNA) where: Base-Base interactions energy: -1081.660 where: short stacking energy: -449.126 Base-Backbone interact. energy: -3.695 local terms energy: -410.478123 where: bonds (distance) C4'-P energy: -88.354 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -92.241 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -112.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1474.791140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.791140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.791140 (E_RNA) where: Base-Base interactions energy: -1019.010 where: short stacking energy: -451.906 Base-Backbone interact. energy: -2.749 local terms energy: -453.032462 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -88.281 flat angles C4'-P-C4' energy: -92.796 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -116.283 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: 112 Temperature: 1.100000 Total energy: -1335.188193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.188193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.188193 (E_RNA) where: Base-Base interactions energy: -922.641 where: short stacking energy: -394.332 Base-Backbone interact. energy: 2.329 local terms energy: -414.875295 where: bonds (distance) C4'-P energy: -80.425 bonds (distance) P-C4' energy: -94.675 flat angles C4'-P-C4' energy: -93.227 flat angles P-C4'-P energy: -57.712 tors. eta vs tors. theta energy: -88.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1305.422148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.422148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.422148 (E_RNA) where: Base-Base interactions energy: -868.135 where: short stacking energy: -384.415 Base-Backbone interact. energy: -2.312 local terms energy: -434.975462 where: bonds (distance) C4'-P energy: -76.973 bonds (distance) P-C4' energy: -87.936 flat angles C4'-P-C4' energy: -102.517 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -105.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1088.875129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.875129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.875129 (E_RNA) where: Base-Base interactions energy: -709.633 where: short stacking energy: -309.030 Base-Backbone interact. energy: -1.574 local terms energy: -377.667887 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -82.911 flat angles C4'-P-C4' energy: -78.864 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -61.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1026.207101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.207101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.207101 (E_RNA) where: Base-Base interactions energy: -662.590 where: short stacking energy: -314.334 Base-Backbone interact. energy: -1.732 local terms energy: -361.884854 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -78.952 flat angles C4'-P-C4' energy: -83.359 flat angles P-C4'-P energy: -55.455 tors. eta vs tors. theta energy: -66.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -678.199562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.199562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.199562 (E_RNA) where: Base-Base interactions energy: -394.307 where: short stacking energy: -204.221 Base-Backbone interact. energy: 2.014 local terms energy: -285.906692 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -83.909 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -507.578183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.578183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.578183 (E_RNA) where: Base-Base interactions energy: -231.348 where: short stacking energy: -145.880 Base-Backbone interact. energy: -0.498 local terms energy: -275.732568 where: bonds (distance) C4'-P energy: -79.802 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -79.926 flat angles P-C4'-P energy: -29.979 tors. eta vs tors. theta energy: 1.742 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: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1647.480080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.480080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.480080 (E_RNA) where: Base-Base interactions energy: -1129.372 where: short stacking energy: -510.074 Base-Backbone interact. energy: -3.284 local terms energy: -514.824411 where: bonds (distance) C4'-P energy: -90.230 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -113.744 flat angles P-C4'-P energy: -73.375 tors. eta vs tors. theta energy: -140.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1575.464269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.464269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.464269 (E_RNA) where: Base-Base interactions energy: -1088.999 where: short stacking energy: -458.069 Base-Backbone interact. energy: -1.574 local terms energy: -484.891617 where: bonds (distance) C4'-P energy: -91.478 bonds (distance) P-C4' energy: -103.154 flat angles C4'-P-C4' energy: -100.026 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: -118.799 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1470.657310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.657310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.657310 (E_RNA) where: Base-Base interactions energy: -1032.146 where: short stacking energy: -445.225 Base-Backbone interact. energy: -1.699 local terms energy: -436.811933 where: bonds (distance) C4'-P energy: -88.575 bonds (distance) P-C4' energy: -81.649 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -59.518 tors. eta vs tors. theta energy: -114.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1404.721182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.721182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.721182 (E_RNA) where: Base-Base interactions energy: -973.414 where: short stacking energy: -436.915 Base-Backbone interact. energy: -3.818 local terms energy: -427.489731 where: bonds (distance) C4'-P energy: -82.534 bonds (distance) P-C4' energy: -82.714 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -63.297 tors. eta vs tors. theta energy: -106.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1415.338113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.338113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.338113 (E_RNA) where: Base-Base interactions energy: -967.034 where: short stacking energy: -415.452 Base-Backbone interact. energy: -4.344 local terms energy: -443.959924 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -100.407 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -118.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1282.003736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.003736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.003736 (E_RNA) where: Base-Base interactions energy: -869.761 where: short stacking energy: -379.639 Base-Backbone interact. energy: -2.302 local terms energy: -409.940806 where: bonds (distance) C4'-P energy: -71.208 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -86.454 flat angles P-C4'-P energy: -58.200 tors. eta vs tors. theta energy: -106.582 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: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1076.676027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.676027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.676027 (E_RNA) where: Base-Base interactions energy: -730.443 where: short stacking energy: -321.427 Base-Backbone interact. energy: 3.373 local terms energy: -349.606240 where: bonds (distance) C4'-P energy: -78.070 bonds (distance) P-C4' energy: -80.913 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -67.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1064.978115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.978115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.978115 (E_RNA) where: Base-Base interactions energy: -688.109 where: short stacking energy: -305.117 Base-Backbone interact. energy: -3.042 local terms energy: -373.827193 where: bonds (distance) C4'-P energy: -83.233 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -86.627 flat angles P-C4'-P energy: -56.986 tors. eta vs tors. theta energy: -65.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -680.924075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.924075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.924075 (E_RNA) where: Base-Base interactions energy: -359.995 where: short stacking energy: -191.761 Base-Backbone interact. energy: -2.279 local terms energy: -318.650069 where: bonds (distance) C4'-P energy: -81.420 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -83.355 flat angles P-C4'-P energy: -44.559 tors. eta vs tors. theta energy: -24.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -495.045098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.045098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.045098 (E_RNA) where: Base-Base interactions energy: -223.128 where: short stacking energy: -152.863 Base-Backbone interact. energy: 5.092 local terms energy: -277.009729 where: bonds (distance) C4'-P energy: -78.799 bonds (distance) P-C4' energy: -84.559 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -40.592 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1641.377960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.377960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.377960 (E_RNA) where: Base-Base interactions energy: -1134.452 where: short stacking energy: -489.843 Base-Backbone interact. energy: -1.810 local terms energy: -505.115890 where: bonds (distance) C4'-P energy: -95.212 bonds (distance) P-C4' energy: -103.052 flat angles C4'-P-C4' energy: -100.140 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: -141.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1585.922142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.922142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.922142 (E_RNA) where: Base-Base interactions energy: -1110.570 where: short stacking energy: -487.612 Base-Backbone interact. energy: -2.997 local terms energy: -472.355018 where: bonds (distance) C4'-P energy: -91.121 bonds (distance) P-C4' energy: -88.442 flat angles C4'-P-C4' energy: -97.922 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -122.578 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: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1504.424358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.424358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.424358 (E_RNA) where: Base-Base interactions energy: -1039.523 where: short stacking energy: -416.648 Base-Backbone interact. energy: -0.092 local terms energy: -464.809452 where: bonds (distance) C4'-P energy: -94.691 bonds (distance) P-C4' energy: -101.021 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -64.954 tors. eta vs tors. theta energy: -109.927 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: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1364.591281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.591281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.591281 (E_RNA) where: Base-Base interactions energy: -935.247 where: short stacking energy: -391.643 Base-Backbone interact. energy: 0.819 local terms energy: -430.163421 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -92.014 flat angles C4'-P-C4' energy: -97.502 flat angles P-C4'-P energy: -59.595 tors. eta vs tors. theta energy: -98.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1426.968343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.968343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.968343 (E_RNA) where: Base-Base interactions energy: -973.358 where: short stacking energy: -419.327 Base-Backbone interact. energy: 2.836 local terms energy: -456.445866 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -88.439 flat angles C4'-P-C4' energy: -98.824 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -113.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1267.591407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.591407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.591407 (E_RNA) where: Base-Base interactions energy: -848.954 where: short stacking energy: -358.762 Base-Backbone interact. energy: -1.939 local terms energy: -416.697997 where: bonds (distance) C4'-P energy: -94.201 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -88.649 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -88.519 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: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1093.103383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.103383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.103383 (E_RNA) where: Base-Base interactions energy: -714.909 where: short stacking energy: -316.845 Base-Backbone interact. energy: -1.137 local terms energy: -377.057705 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -91.412 flat angles C4'-P-C4' energy: -88.759 flat angles P-C4'-P energy: -43.677 tors. eta vs tors. theta energy: -69.062 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: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1025.284275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.284275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.284275 (E_RNA) where: Base-Base interactions energy: -667.504 where: short stacking energy: -296.197 Base-Backbone interact. energy: -2.591 local terms energy: -355.189548 where: bonds (distance) C4'-P energy: -83.528 bonds (distance) P-C4' energy: -84.269 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -46.760 tors. eta vs tors. theta energy: -66.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -683.474514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.474514 (E_RNA) where: Base-Base interactions energy: -407.051 where: short stacking energy: -194.051 Base-Backbone interact. energy: -3.528 local terms energy: -272.895284 where: bonds (distance) C4'-P energy: -72.729 bonds (distance) P-C4' energy: -71.797 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -525.444120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.444120 (E_RNA) where: Base-Base interactions energy: -268.990 where: short stacking energy: -182.605 Base-Backbone interact. energy: -2.603 local terms energy: -253.851022 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -77.139 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -35.712 tors. eta vs tors. theta energy: 4.229 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: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1667.839601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.839601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.839601 (E_RNA) where: Base-Base interactions energy: -1143.162 where: short stacking energy: -504.304 Base-Backbone interact. energy: -0.665 local terms energy: -524.013215 where: bonds (distance) C4'-P energy: -108.326 bonds (distance) P-C4' energy: -96.792 flat angles C4'-P-C4' energy: -106.977 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -144.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1595.034277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.034277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.034277 (E_RNA) where: Base-Base interactions energy: -1134.082 where: short stacking energy: -461.266 Base-Backbone interact. energy: -3.730 local terms energy: -457.222300 where: bonds (distance) C4'-P energy: -87.469 bonds (distance) P-C4' energy: -90.136 flat angles C4'-P-C4' energy: -100.147 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -118.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1471.827869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.827869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.827869 (E_RNA) where: Base-Base interactions energy: -1046.879 where: short stacking energy: -457.206 Base-Backbone interact. energy: 1.352 local terms energy: -426.300270 where: bonds (distance) C4'-P energy: -73.555 bonds (distance) P-C4' energy: -74.075 flat angles C4'-P-C4' energy: -99.852 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -122.224 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: 115 Temperature: 1.050000 Total energy: -1444.170450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.170450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.170450 (E_RNA) where: Base-Base interactions energy: -985.509 where: short stacking energy: -426.095 Base-Backbone interact. energy: -1.936 local terms energy: -456.724752 where: bonds (distance) C4'-P energy: -89.412 bonds (distance) P-C4' energy: -92.814 flat angles C4'-P-C4' energy: -106.815 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: -104.275 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: 115 Temperature: 1.100000 Total energy: -1349.391906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.391906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.391906 (E_RNA) where: Base-Base interactions energy: -943.438 where: short stacking energy: -412.704 Base-Backbone interact. energy: -1.555 local terms energy: -404.398883 where: bonds (distance) C4'-P energy: -85.182 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -96.635 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -92.042 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: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1191.923330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.923330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.923330 (E_RNA) where: Base-Base interactions energy: -813.355 where: short stacking energy: -357.640 Base-Backbone interact. energy: -3.217 local terms energy: -375.351966 where: bonds (distance) C4'-P energy: -76.380 bonds (distance) P-C4' energy: -78.557 flat angles C4'-P-C4' energy: -86.871 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -87.277 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: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1113.756775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.756775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.756775 (E_RNA) where: Base-Base interactions energy: -753.248 where: short stacking energy: -302.610 Base-Backbone interact. energy: -3.728 local terms energy: -356.780932 where: bonds (distance) C4'-P energy: -80.930 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -57.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1043.741174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.741174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.741174 (E_RNA) where: Base-Base interactions energy: -674.291 where: short stacking energy: -296.420 Base-Backbone interact. energy: -2.004 local terms energy: -367.446352 where: bonds (distance) C4'-P energy: -77.490 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -86.210 flat angles P-C4'-P energy: -71.310 tors. eta vs tors. theta energy: -62.116 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -738.385104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.385104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.385104 (E_RNA) where: Base-Base interactions energy: -438.007 where: short stacking energy: -216.440 Base-Backbone interact. energy: -2.761 local terms energy: -297.617113 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -82.845 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -509.201784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.201784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.201784 (E_RNA) where: Base-Base interactions energy: -237.776 where: short stacking energy: -142.725 Base-Backbone interact. energy: -2.785 local terms energy: -268.641413 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -90.862 flat angles C4'-P-C4' energy: -64.422 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: -0.761 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: 116 Temperature: 0.900000 Total energy: -1642.462685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.462685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.462685 (E_RNA) where: Base-Base interactions energy: -1135.924 where: short stacking energy: -487.712 Base-Backbone interact. energy: -0.473 local terms energy: -506.064826 where: bonds (distance) C4'-P energy: -94.680 bonds (distance) P-C4' energy: -94.128 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -77.970 tors. eta vs tors. theta energy: -131.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1579.884581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.884581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.884581 (E_RNA) where: Base-Base interactions energy: -1104.688 where: short stacking energy: -447.529 Base-Backbone interact. energy: -2.834 local terms energy: -472.362628 where: bonds (distance) C4'-P energy: -90.748 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -114.409 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -116.193 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: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1471.270837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.270837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.270837 (E_RNA) where: Base-Base interactions energy: -990.581 where: short stacking energy: -418.888 Base-Backbone interact. energy: -2.965 local terms energy: -477.724566 where: bonds (distance) C4'-P energy: -90.138 bonds (distance) P-C4' energy: -97.599 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -64.395 tors. eta vs tors. theta energy: -117.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1454.651684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.651684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.651684 (E_RNA) where: Base-Base interactions energy: -1009.051 where: short stacking energy: -419.473 Base-Backbone interact. energy: 1.553 local terms energy: -447.153527 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -95.598 flat angles C4'-P-C4' energy: -87.970 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -115.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1385.455239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.455239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.455239 (E_RNA) where: Base-Base interactions energy: -963.799 where: short stacking energy: -412.934 Base-Backbone interact. energy: -2.823 local terms energy: -418.833980 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -87.917 flat angles C4'-P-C4' energy: -101.810 flat angles P-C4'-P energy: -55.791 tors. eta vs tors. theta energy: -97.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1245.894725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.894725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.894725 (E_RNA) where: Base-Base interactions energy: -871.800 where: short stacking energy: -344.251 Base-Backbone interact. energy: 3.172 local terms energy: -377.266457 where: bonds (distance) C4'-P energy: -84.962 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -60.066 tors. eta vs tors. theta energy: -79.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1138.298817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.298817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.298817 (E_RNA) where: Base-Base interactions energy: -791.074 where: short stacking energy: -323.278 Base-Backbone interact. energy: 1.320 local terms energy: -348.545097 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -84.417 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -80.304 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: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -990.221847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.221847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.221847 (E_RNA) where: Base-Base interactions energy: -639.506 where: short stacking energy: -270.103 Base-Backbone interact. energy: -1.066 local terms energy: -349.649901 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -91.443 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -48.809 tors. eta vs tors. theta energy: -57.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -769.223802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.223802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.223802 (E_RNA) where: Base-Base interactions energy: -483.195 where: short stacking energy: -249.626 Base-Backbone interact. energy: 0.953 local terms energy: -286.981723 where: bonds (distance) C4'-P energy: -75.324 bonds (distance) P-C4' energy: -62.484 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -26.578 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: 116 Temperature: 1.350000 Total energy: -471.934341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.934341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.934341 (E_RNA) where: Base-Base interactions energy: -210.406 where: short stacking energy: -134.528 Base-Backbone interact. energy: -0.012 local terms energy: -261.516069 where: bonds (distance) C4'-P energy: -81.497 bonds (distance) P-C4' energy: -71.832 flat angles C4'-P-C4' energy: -70.739 flat angles P-C4'-P energy: -36.158 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1654.796690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.796690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.796690 (E_RNA) where: Base-Base interactions energy: -1153.191 where: short stacking energy: -502.612 Base-Backbone interact. energy: -2.153 local terms energy: -499.452747 where: bonds (distance) C4'-P energy: -83.736 bonds (distance) P-C4' energy: -94.778 flat angles C4'-P-C4' energy: -101.722 flat angles P-C4'-P energy: -79.648 tors. eta vs tors. theta energy: -139.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1586.977661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.977661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.977661 (E_RNA) where: Base-Base interactions energy: -1121.449 where: short stacking energy: -472.645 Base-Backbone interact. energy: -1.760 local terms energy: -463.768626 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -120.630 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: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1488.273280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.273280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.273280 (E_RNA) where: Base-Base interactions energy: -1032.951 where: short stacking energy: -435.051 Base-Backbone interact. energy: -1.373 local terms energy: -453.949687 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -93.068 flat angles C4'-P-C4' energy: -95.409 flat angles P-C4'-P energy: -56.963 tors. eta vs tors. theta energy: -118.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1417.848694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.848694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.848694 (E_RNA) where: Base-Base interactions energy: -982.387 where: short stacking energy: -412.127 Base-Backbone interact. energy: -1.476 local terms energy: -433.985223 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -84.337 flat angles C4'-P-C4' energy: -109.697 flat angles P-C4'-P energy: -62.839 tors. eta vs tors. theta energy: -101.707 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: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1332.629738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.629738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.629738 (E_RNA) where: Base-Base interactions energy: -917.801 where: short stacking energy: -374.642 Base-Backbone interact. energy: -1.425 local terms energy: -413.403413 where: bonds (distance) C4'-P energy: -85.607 bonds (distance) P-C4' energy: -87.015 flat angles C4'-P-C4' energy: -93.776 flat angles P-C4'-P energy: -60.572 tors. eta vs tors. theta energy: -86.434 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: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1270.321902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.321902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.321902 (E_RNA) where: Base-Base interactions energy: -854.963 where: short stacking energy: -365.342 Base-Backbone interact. energy: -0.607 local terms energy: -414.751699 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -89.539 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -92.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1165.678810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.678810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.678810 (E_RNA) where: Base-Base interactions energy: -804.182 where: short stacking energy: -344.895 Base-Backbone interact. energy: 0.659 local terms energy: -362.155760 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -71.884 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: -66.466 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: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -976.383782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.383782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.383782 (E_RNA) where: Base-Base interactions energy: -636.165 where: short stacking energy: -272.428 Base-Backbone interact. energy: -1.828 local terms energy: -338.390963 where: bonds (distance) C4'-P energy: -66.738 bonds (distance) P-C4' energy: -76.357 flat angles C4'-P-C4' energy: -85.093 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -54.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -707.354206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.354206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.354206 (E_RNA) where: Base-Base interactions energy: -396.511 where: short stacking energy: -204.258 Base-Backbone interact. energy: -2.465 local terms energy: -308.378271 where: bonds (distance) C4'-P energy: -71.412 bonds (distance) P-C4' energy: -100.337 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -40.027 tors. eta vs tors. theta energy: -27.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -544.496286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.496286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.496286 (E_RNA) where: Base-Base interactions energy: -284.846 where: short stacking energy: -159.087 Base-Backbone interact. energy: -1.854 local terms energy: -257.796154 where: bonds (distance) C4'-P energy: -70.803 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -63.821 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: 1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1640.245418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.245418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.245418 (E_RNA) where: Base-Base interactions energy: -1153.439 where: short stacking energy: -511.173 Base-Backbone interact. energy: -1.106 local terms energy: -485.700439 where: bonds (distance) C4'-P energy: -86.305 bonds (distance) P-C4' energy: -96.421 flat angles C4'-P-C4' energy: -93.880 flat angles P-C4'-P energy: -67.568 tors. eta vs tors. theta energy: -141.527 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: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1566.833330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.833330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.833330 (E_RNA) where: Base-Base interactions energy: -1075.311 where: short stacking energy: -451.735 Base-Backbone interact. energy: -3.906 local terms energy: -487.616988 where: bonds (distance) C4'-P energy: -93.685 bonds (distance) P-C4' energy: -92.858 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -72.524 tors. eta vs tors. theta energy: -113.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1485.787381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.787381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.787381 (E_RNA) where: Base-Base interactions energy: -1059.445 where: short stacking energy: -437.800 Base-Backbone interact. energy: 6.418 local terms energy: -432.760830 where: bonds (distance) C4'-P energy: -82.734 bonds (distance) P-C4' energy: -88.483 flat angles C4'-P-C4' energy: -90.416 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -115.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1426.519504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.519504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.519504 (E_RNA) where: Base-Base interactions energy: -1000.933 where: short stacking energy: -405.918 Base-Backbone interact. energy: 1.747 local terms energy: -427.334022 where: bonds (distance) C4'-P energy: -96.245 bonds (distance) P-C4' energy: -90.049 flat angles C4'-P-C4' energy: -87.784 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -98.734 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: 118 Temperature: 1.100000 Total energy: -1394.051138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.051138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.051138 (E_RNA) where: Base-Base interactions energy: -985.018 where: short stacking energy: -407.644 Base-Backbone interact. energy: -2.114 local terms energy: -406.919560 where: bonds (distance) C4'-P energy: -74.387 bonds (distance) P-C4' energy: -74.841 flat angles C4'-P-C4' energy: -92.728 flat angles P-C4'-P energy: -71.723 tors. eta vs tors. theta energy: -93.241 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: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1238.402208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.402208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.402208 (E_RNA) where: Base-Base interactions energy: -836.836 where: short stacking energy: -337.875 Base-Backbone interact. energy: 0.273 local terms energy: -401.839074 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -90.190 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: -75.240 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: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1204.358455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.358455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.358455 (E_RNA) where: Base-Base interactions energy: -824.246 where: short stacking energy: -371.804 Base-Backbone interact. energy: -2.522 local terms energy: -377.590052 where: bonds (distance) C4'-P energy: -78.386 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -84.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -969.208886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.208886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.208886 (E_RNA) where: Base-Base interactions energy: -598.708 where: short stacking energy: -260.087 Base-Backbone interact. energy: 4.366 local terms energy: -374.866436 where: bonds (distance) C4'-P energy: -86.379 bonds (distance) P-C4' energy: -76.042 flat angles C4'-P-C4' energy: -89.311 flat angles P-C4'-P energy: -64.756 tors. eta vs tors. theta energy: -58.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -696.679478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.679478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.679478 (E_RNA) where: Base-Base interactions energy: -385.411 where: short stacking energy: -194.817 Base-Backbone interact. energy: -2.042 local terms energy: -309.226228 where: bonds (distance) C4'-P energy: -80.621 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -21.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -542.410125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.410125 (E_RNA) where: Base-Base interactions energy: -281.400 where: short stacking energy: -142.270 Base-Backbone interact. energy: -3.248 local terms energy: -257.762786 where: bonds (distance) C4'-P energy: -82.328 bonds (distance) P-C4' energy: -81.397 flat angles C4'-P-C4' energy: -63.562 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: 5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1671.713069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.713069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.713069 (E_RNA) where: Base-Base interactions energy: -1158.964 where: short stacking energy: -533.922 Base-Backbone interact. energy: -2.862 local terms energy: -509.886902 where: bonds (distance) C4'-P energy: -86.463 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -73.038 tors. eta vs tors. theta energy: -147.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1564.346712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.346712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.346712 (E_RNA) where: Base-Base interactions energy: -1099.076 where: short stacking energy: -474.248 Base-Backbone interact. energy: -3.397 local terms energy: -461.873658 where: bonds (distance) C4'-P energy: -92.492 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -71.989 tors. eta vs tors. theta energy: -111.137 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1513.477148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.477148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.477148 (E_RNA) where: Base-Base interactions energy: -1064.105 where: short stacking energy: -437.016 Base-Backbone interact. energy: -3.185 local terms energy: -446.187227 where: bonds (distance) C4'-P energy: -93.067 bonds (distance) P-C4' energy: -83.226 flat angles C4'-P-C4' energy: -92.294 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -110.725 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: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1411.958717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.958717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.958717 (E_RNA) where: Base-Base interactions energy: -983.823 where: short stacking energy: -407.993 Base-Backbone interact. energy: -3.534 local terms energy: -424.601232 where: bonds (distance) C4'-P energy: -81.183 bonds (distance) P-C4' energy: -90.327 flat angles C4'-P-C4' energy: -87.003 flat angles P-C4'-P energy: -66.264 tors. eta vs tors. theta energy: -99.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1386.225394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.225394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.225394 (E_RNA) where: Base-Base interactions energy: -928.573 where: short stacking energy: -394.499 Base-Backbone interact. energy: -1.316 local terms energy: -456.337104 where: bonds (distance) C4'-P energy: -86.170 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -91.854 flat angles P-C4'-P energy: -71.239 tors. eta vs tors. theta energy: -110.315 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: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1225.004452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.004452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.004452 (E_RNA) where: Base-Base interactions energy: -800.909 where: short stacking energy: -364.939 Base-Backbone interact. energy: -0.516 local terms energy: -423.579833 where: bonds (distance) C4'-P energy: -93.048 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -98.544 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: -91.656 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: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1177.516762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.516762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.516762 (E_RNA) where: Base-Base interactions energy: -794.649 where: short stacking energy: -349.869 Base-Backbone interact. energy: 0.587 local terms energy: -383.454156 where: bonds (distance) C4'-P energy: -72.800 bonds (distance) P-C4' energy: -93.469 flat angles C4'-P-C4' energy: -78.233 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -83.224 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: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1068.614812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.614812 (E_RNA) where: Base-Base interactions energy: -712.457 where: short stacking energy: -329.576 Base-Backbone interact. energy: -2.179 local terms energy: -353.979232 where: bonds (distance) C4'-P energy: -58.560 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -79.781 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -74.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -725.545529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.545529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.545529 (E_RNA) where: Base-Base interactions energy: -410.970 where: short stacking energy: -212.385 Base-Backbone interact. energy: -2.229 local terms energy: -312.346572 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -79.088 flat angles C4'-P-C4' energy: -83.355 flat angles P-C4'-P energy: -46.402 tors. eta vs tors. theta energy: -32.344 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: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -490.558697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.558697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.558697 (E_RNA) where: Base-Base interactions energy: -236.268 where: short stacking energy: -157.493 Base-Backbone interact. energy: 0.401 local terms energy: -254.691979 where: bonds (distance) C4'-P energy: -68.758 bonds (distance) P-C4' energy: -77.314 flat angles C4'-P-C4' energy: -57.741 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -7.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1658.572266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.572266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.572266 (E_RNA) where: Base-Base interactions energy: -1146.742 where: short stacking energy: -490.937 Base-Backbone interact. energy: -0.470 local terms energy: -511.360651 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -95.358 flat angles C4'-P-C4' energy: -108.548 flat angles P-C4'-P energy: -71.635 tors. eta vs tors. theta energy: -139.993 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: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1576.491859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.491859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.491859 (E_RNA) where: Base-Base interactions energy: -1102.815 where: short stacking energy: -482.114 Base-Backbone interact. energy: -1.812 local terms energy: -471.865521 where: bonds (distance) C4'-P energy: -84.698 bonds (distance) P-C4' energy: -91.189 flat angles C4'-P-C4' energy: -101.842 flat angles P-C4'-P energy: -78.129 tors. eta vs tors. theta energy: -116.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1527.630117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.630117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.630117 (E_RNA) where: Base-Base interactions energy: -1070.699 where: short stacking energy: -447.782 Base-Backbone interact. energy: 3.585 local terms energy: -460.516075 where: bonds (distance) C4'-P energy: -89.465 bonds (distance) P-C4' energy: -103.274 flat angles C4'-P-C4' energy: -92.701 flat angles P-C4'-P energy: -61.307 tors. eta vs tors. theta energy: -113.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1432.573016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.573016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.573016 (E_RNA) where: Base-Base interactions energy: -1001.870 where: short stacking energy: -409.589 Base-Backbone interact. energy: -1.788 local terms energy: -428.915428 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -86.698 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -90.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1373.009142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.009142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.009142 (E_RNA) where: Base-Base interactions energy: -956.539 where: short stacking energy: -400.058 Base-Backbone interact. energy: -1.865 local terms energy: -414.604555 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -93.388 flat angles C4'-P-C4' energy: -95.010 flat angles P-C4'-P energy: -58.572 tors. eta vs tors. theta energy: -91.236 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: 6, replica: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1248.510891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.510891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.510891 (E_RNA) where: Base-Base interactions energy: -817.425 where: short stacking energy: -364.936 Base-Backbone interact. energy: -2.091 local terms energy: -428.994922 where: bonds (distance) C4'-P energy: -81.734 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -98.302 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -92.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1184.134088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.134088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.134088 (E_RNA) where: Base-Base interactions energy: -810.001 where: short stacking energy: -348.148 Base-Backbone interact. energy: 2.630 local terms energy: -376.762518 where: bonds (distance) C4'-P energy: -77.836 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -93.418 flat angles P-C4'-P energy: -59.504 tors. eta vs tors. theta energy: -79.308 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: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1054.857169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.857169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.857169 (E_RNA) where: Base-Base interactions energy: -685.312 where: short stacking energy: -289.292 Base-Backbone interact. energy: -0.991 local terms energy: -368.554326 where: bonds (distance) C4'-P energy: -93.686 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -70.684 flat angles P-C4'-P energy: -57.603 tors. eta vs tors. theta energy: -64.582 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: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -797.627923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.627923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.627923 (E_RNA) where: Base-Base interactions energy: -496.945 where: short stacking energy: -245.587 Base-Backbone interact. energy: -0.472 local terms energy: -300.210860 where: bonds (distance) C4'-P energy: -75.597 bonds (distance) P-C4' energy: -77.386 flat angles C4'-P-C4' energy: -66.114 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -41.842 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: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -459.903600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.903600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.903600 (E_RNA) where: Base-Base interactions energy: -214.945 where: short stacking energy: -131.174 Base-Backbone interact. energy: -0.521 local terms energy: -244.437456 where: bonds (distance) C4'-P energy: -79.230 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -67.547 flat angles P-C4'-P energy: -30.780 tors. eta vs tors. theta energy: 2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1661.413131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.413131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.413131 (E_RNA) where: Base-Base interactions energy: -1165.474 where: short stacking energy: -496.123 Base-Backbone interact. energy: -0.123 local terms energy: -495.816088 where: bonds (distance) C4'-P energy: -90.173 bonds (distance) P-C4' energy: -94.998 flat angles C4'-P-C4' energy: -106.697 flat angles P-C4'-P energy: -67.811 tors. eta vs tors. theta energy: -136.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1565.714728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.714728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.714728 (E_RNA) where: Base-Base interactions energy: -1086.458 where: short stacking energy: -439.204 Base-Backbone interact. energy: -2.511 local terms energy: -476.745994 where: bonds (distance) C4'-P energy: -89.734 bonds (distance) P-C4' energy: -103.070 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -78.245 tors. eta vs tors. theta energy: -109.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1534.525421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.525421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.525421 (E_RNA) where: Base-Base interactions energy: -1065.199 where: short stacking energy: -446.202 Base-Backbone interact. energy: -2.610 local terms energy: -466.716754 where: bonds (distance) C4'-P energy: -94.464 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -103.582 flat angles P-C4'-P energy: -66.629 tors. eta vs tors. theta energy: -110.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1461.043658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.043658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.043658 (E_RNA) where: Base-Base interactions energy: -1043.366 where: short stacking energy: -432.395 Base-Backbone interact. energy: 1.511 local terms energy: -419.188249 where: bonds (distance) C4'-P energy: -69.287 bonds (distance) P-C4' energy: -94.797 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -110.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1348.464477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.464477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.464477 (E_RNA) where: Base-Base interactions energy: -926.292 where: short stacking energy: -416.676 Base-Backbone interact. energy: -1.287 local terms energy: -420.886261 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -94.783 flat angles P-C4'-P energy: -59.377 tors. eta vs tors. theta energy: -103.850 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: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1250.884707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.884707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.884707 (E_RNA) where: Base-Base interactions energy: -854.659 where: short stacking energy: -383.972 Base-Backbone interact. energy: -1.453 local terms energy: -394.773226 where: bonds (distance) C4'-P energy: -77.307 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -87.536 flat angles P-C4'-P energy: -48.379 tors. eta vs tors. theta energy: -95.220 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: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1178.561840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.561840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.561840 (E_RNA) where: Base-Base interactions energy: -807.022 where: short stacking energy: -341.808 Base-Backbone interact. energy: -1.617 local terms energy: -369.923151 where: bonds (distance) C4'-P energy: -56.651 bonds (distance) P-C4' energy: -88.613 flat angles C4'-P-C4' energy: -88.677 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -77.249 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: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1052.046769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.046769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.046769 (E_RNA) where: Base-Base interactions energy: -675.054 where: short stacking energy: -301.738 Base-Backbone interact. energy: 0.702 local terms energy: -377.694818 where: bonds (distance) C4'-P energy: -73.147 bonds (distance) P-C4' energy: -89.115 flat angles C4'-P-C4' energy: -89.366 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -79.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -698.401358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.401358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.401358 (E_RNA) where: Base-Base interactions energy: -416.505 where: short stacking energy: -223.853 Base-Backbone interact. energy: 2.036 local terms energy: -283.931966 where: bonds (distance) C4'-P energy: -68.215 bonds (distance) P-C4' energy: -74.968 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -39.708 tors. eta vs tors. theta energy: -23.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -450.792492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.792492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.792492 (E_RNA) where: Base-Base interactions energy: -190.077 where: short stacking energy: -124.043 Base-Backbone interact. energy: -2.805 local terms energy: -257.910316 where: bonds (distance) C4'-P energy: -69.964 bonds (distance) P-C4' energy: -77.528 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -36.809 tors. eta vs tors. theta energy: 6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1677.160878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.160878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.160878 (E_RNA) where: Base-Base interactions energy: -1165.732 where: short stacking energy: -514.860 Base-Backbone interact. energy: -1.079 local terms energy: -510.349820 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -98.307 flat angles C4'-P-C4' energy: -107.496 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -143.668 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: 122 Temperature: 0.950000 Total energy: -1567.178183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.178183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.178183 (E_RNA) where: Base-Base interactions energy: -1087.880 where: short stacking energy: -431.202 Base-Backbone interact. energy: -1.067 local terms energy: -478.230550 where: bonds (distance) C4'-P energy: -98.352 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: -107.232 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: 122 Temperature: 1.000000 Total energy: -1492.928633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.928633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.928633 (E_RNA) where: Base-Base interactions energy: -1034.455 where: short stacking energy: -442.178 Base-Backbone interact. energy: -2.426 local terms energy: -456.047616 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -90.804 flat angles C4'-P-C4' energy: -100.927 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -109.485 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: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1434.709014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.709014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.709014 (E_RNA) where: Base-Base interactions energy: -987.493 where: short stacking energy: -385.490 Base-Backbone interact. energy: -0.154 local terms energy: -447.062241 where: bonds (distance) C4'-P energy: -90.189 bonds (distance) P-C4' energy: -91.717 flat angles C4'-P-C4' energy: -97.304 flat angles P-C4'-P energy: -68.429 tors. eta vs tors. theta energy: -99.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1350.070172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.070172 (E_RNA) where: Base-Base interactions energy: -934.554 where: short stacking energy: -410.871 Base-Backbone interact. energy: 2.579 local terms energy: -418.094657 where: bonds (distance) C4'-P energy: -80.246 bonds (distance) P-C4' energy: -87.688 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -51.460 tors. eta vs tors. theta energy: -108.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1224.711126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.711126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.711126 (E_RNA) where: Base-Base interactions energy: -814.575 where: short stacking energy: -355.987 Base-Backbone interact. energy: 3.487 local terms energy: -413.623943 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -94.754 flat angles P-C4'-P energy: -51.393 tors. eta vs tors. theta energy: -93.987 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: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1137.620559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.620559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.620559 (E_RNA) where: Base-Base interactions energy: -765.835 where: short stacking energy: -333.676 Base-Backbone interact. energy: -2.937 local terms energy: -368.849246 where: bonds (distance) C4'-P energy: -73.888 bonds (distance) P-C4' energy: -80.957 flat angles C4'-P-C4' energy: -86.775 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -84.851 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: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1024.059642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.059642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.059642 (E_RNA) where: Base-Base interactions energy: -693.620 where: short stacking energy: -279.681 Base-Backbone interact. energy: 1.773 local terms energy: -332.212716 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -67.998 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -57.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -714.783128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.783128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.783128 (E_RNA) where: Base-Base interactions energy: -424.626 where: short stacking energy: -218.943 Base-Backbone interact. energy: 2.914 local terms energy: -293.071313 where: bonds (distance) C4'-P energy: -81.246 bonds (distance) P-C4' energy: -72.039 flat angles C4'-P-C4' energy: -74.628 flat angles P-C4'-P energy: -41.236 tors. eta vs tors. theta energy: -23.923 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: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -506.355218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.355218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.355218 (E_RNA) where: Base-Base interactions energy: -257.778 where: short stacking energy: -156.667 Base-Backbone interact. energy: 0.326 local terms energy: -248.903150 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -77.925 flat angles C4'-P-C4' energy: -74.585 flat angles P-C4'-P energy: -34.689 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: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1670.971443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.971443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.971443 (E_RNA) where: Base-Base interactions energy: -1155.785 where: short stacking energy: -514.375 Base-Backbone interact. energy: -2.866 local terms energy: -512.320660 where: bonds (distance) C4'-P energy: -87.407 bonds (distance) P-C4' energy: -92.048 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -79.702 tors. eta vs tors. theta energy: -143.817 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: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1544.454143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.454143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.454143 (E_RNA) where: Base-Base interactions energy: -1086.862 where: short stacking energy: -443.281 Base-Backbone interact. energy: -0.210 local terms energy: -457.382328 where: bonds (distance) C4'-P energy: -91.425 bonds (distance) P-C4' energy: -87.669 flat angles C4'-P-C4' energy: -101.042 flat angles P-C4'-P energy: -63.129 tors. eta vs tors. theta energy: -114.118 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: 123 Temperature: 1.000000 Total energy: -1571.825360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.825360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.825360 (E_RNA) where: Base-Base interactions energy: -1095.795 where: short stacking energy: -457.603 Base-Backbone interact. energy: -0.325 local terms energy: -475.705494 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -91.109 flat angles C4'-P-C4' energy: -99.388 flat angles P-C4'-P energy: -69.336 tors. eta vs tors. theta energy: -115.939 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1370.157292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.157292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.157292 (E_RNA) where: Base-Base interactions energy: -898.204 where: short stacking energy: -396.517 Base-Backbone interact. energy: -7.268 local terms energy: -464.685809 where: bonds (distance) C4'-P energy: -94.279 bonds (distance) P-C4' energy: -86.730 flat angles C4'-P-C4' energy: -107.188 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -106.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1379.797632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.797632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.797632 (E_RNA) where: Base-Base interactions energy: -937.430 where: short stacking energy: -424.033 Base-Backbone interact. energy: 1.113 local terms energy: -443.480938 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -97.538 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -111.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1211.168825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.168825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.168825 (E_RNA) where: Base-Base interactions energy: -819.162 where: short stacking energy: -363.681 Base-Backbone interact. energy: -4.612 local terms energy: -387.394507 where: bonds (distance) C4'-P energy: -71.694 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -102.628 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -88.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1169.332986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.332986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.332986 (E_RNA) where: Base-Base interactions energy: -785.238 where: short stacking energy: -331.154 Base-Backbone interact. energy: -4.136 local terms energy: -379.958760 where: bonds (distance) C4'-P energy: -81.457 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -87.170 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -75.870 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: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1065.643508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.643508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.643508 (E_RNA) where: Base-Base interactions energy: -705.229 where: short stacking energy: -317.848 Base-Backbone interact. energy: -3.121 local terms energy: -357.293630 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -71.879 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -73.154 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: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -693.104105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.104105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.104105 (E_RNA) where: Base-Base interactions energy: -386.207 where: short stacking energy: -200.447 Base-Backbone interact. energy: 4.471 local terms energy: -311.367889 where: bonds (distance) C4'-P energy: -81.798 bonds (distance) P-C4' energy: -91.548 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: -29.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -505.360556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.360556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.360556 (E_RNA) where: Base-Base interactions energy: -246.352 where: short stacking energy: -138.967 Base-Backbone interact. energy: 3.401 local terms energy: -262.409702 where: bonds (distance) C4'-P energy: -76.777 bonds (distance) P-C4' energy: -86.652 flat angles C4'-P-C4' energy: -68.486 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: 12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1654.613282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.613282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.613282 (E_RNA) where: Base-Base interactions energy: -1153.410 where: short stacking energy: -512.316 Base-Backbone interact. energy: 2.105 local terms energy: -503.308481 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -97.393 flat angles C4'-P-C4' energy: -106.198 flat angles P-C4'-P energy: -72.709 tors. eta vs tors. theta energy: -132.249 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: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1545.208278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.208278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.208278 (E_RNA) where: Base-Base interactions energy: -1086.437 where: short stacking energy: -446.794 Base-Backbone interact. energy: -2.098 local terms energy: -456.673148 where: bonds (distance) C4'-P energy: -95.427 bonds (distance) P-C4' energy: -90.425 flat angles C4'-P-C4' energy: -100.310 flat angles P-C4'-P energy: -53.838 tors. eta vs tors. theta energy: -116.673 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: 124 Temperature: 1.000000 Total energy: -1538.710425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.710425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.710425 (E_RNA) where: Base-Base interactions energy: -1061.003 where: short stacking energy: -435.204 Base-Backbone interact. energy: -1.118 local terms energy: -476.589580 where: bonds (distance) C4'-P energy: -89.849 bonds (distance) P-C4' energy: -93.649 flat angles C4'-P-C4' energy: -104.890 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -119.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1406.412067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.412067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.412067 (E_RNA) where: Base-Base interactions energy: -988.356 where: short stacking energy: -424.941 Base-Backbone interact. energy: 0.880 local terms energy: -418.936075 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -83.821 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -106.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1372.398975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.398975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.398975 (E_RNA) where: Base-Base interactions energy: -925.482 where: short stacking energy: -398.625 Base-Backbone interact. energy: -3.687 local terms energy: -443.229869 where: bonds (distance) C4'-P energy: -84.409 bonds (distance) P-C4' energy: -95.219 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -109.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1195.863718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.863718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.863718 (E_RNA) where: Base-Base interactions energy: -815.530 where: short stacking energy: -345.038 Base-Backbone interact. energy: 4.754 local terms energy: -385.088509 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -93.550 flat angles C4'-P-C4' energy: -95.176 flat angles P-C4'-P energy: -41.001 tors. eta vs tors. theta energy: -77.913 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: 10 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1168.888950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.888950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.888950 (E_RNA) where: Base-Base interactions energy: -767.741 where: short stacking energy: -322.943 Base-Backbone interact. energy: 0.227 local terms energy: -401.374953 where: bonds (distance) C4'-P energy: -85.645 bonds (distance) P-C4' energy: -99.883 flat angles C4'-P-C4' energy: -79.313 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -80.409 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: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1040.797769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.797769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.797769 (E_RNA) where: Base-Base interactions energy: -662.791 where: short stacking energy: -328.699 Base-Backbone interact. energy: -1.504 local terms energy: -376.502622 where: bonds (distance) C4'-P energy: -80.985 bonds (distance) P-C4' energy: -75.425 flat angles C4'-P-C4' energy: -90.867 flat angles P-C4'-P energy: -59.770 tors. eta vs tors. theta energy: -69.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -680.264187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.264187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.264187 (E_RNA) where: Base-Base interactions energy: -379.435 where: short stacking energy: -203.147 Base-Backbone interact. energy: -1.030 local terms energy: -299.798504 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -100.117 flat angles C4'-P-C4' energy: -61.094 flat angles P-C4'-P energy: -38.364 tors. eta vs tors. theta energy: -24.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -546.361717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.361717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.361717 (E_RNA) where: Base-Base interactions energy: -294.945 where: short stacking energy: -157.312 Base-Backbone interact. energy: 1.491 local terms energy: -252.907749 where: bonds (distance) C4'-P energy: -63.410 bonds (distance) P-C4' energy: -76.515 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -45.178 tors. eta vs tors. theta energy: 1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1668.269654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.269654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.269654 (E_RNA) where: Base-Base interactions energy: -1154.223 where: short stacking energy: -483.877 Base-Backbone interact. energy: -1.008 local terms energy: -513.038039 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -107.341 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -135.643 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: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1579.926845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.926845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.926845 (E_RNA) where: Base-Base interactions energy: -1100.604 where: short stacking energy: -438.472 Base-Backbone interact. energy: -1.158 local terms energy: -478.164645 where: bonds (distance) C4'-P energy: -100.662 bonds (distance) P-C4' energy: -82.569 flat angles C4'-P-C4' energy: -104.393 flat angles P-C4'-P energy: -66.927 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: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1510.940927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.940927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.940927 (E_RNA) where: Base-Base interactions energy: -1052.001 where: short stacking energy: -437.546 Base-Backbone interact. energy: -4.386 local terms energy: -454.553771 where: bonds (distance) C4'-P energy: -87.039 bonds (distance) P-C4' energy: -101.361 flat angles C4'-P-C4' energy: -96.960 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: -108.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1403.614949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.614949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.614949 (E_RNA) where: Base-Base interactions energy: -977.025 where: short stacking energy: -408.394 Base-Backbone interact. energy: -5.809 local terms energy: -420.780691 where: bonds (distance) C4'-P energy: -73.152 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -91.290 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -98.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1321.151738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.151738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.151738 (E_RNA) where: Base-Base interactions energy: -921.154 where: short stacking energy: -389.763 Base-Backbone interact. energy: -4.669 local terms energy: -395.329106 where: bonds (distance) C4'-P energy: -76.230 bonds (distance) P-C4' energy: -86.966 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -61.537 tors. eta vs tors. theta energy: -92.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1208.456370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.456370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.456370 (E_RNA) where: Base-Base interactions energy: -813.720 where: short stacking energy: -344.265 Base-Backbone interact. energy: -2.494 local terms energy: -392.242311 where: bonds (distance) C4'-P energy: -91.389 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: -79.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1152.272902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.272902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.272902 (E_RNA) where: Base-Base interactions energy: -771.892 where: short stacking energy: -340.586 Base-Backbone interact. energy: -1.552 local terms energy: -378.829590 where: bonds (distance) C4'-P energy: -77.237 bonds (distance) P-C4' energy: -80.131 flat angles C4'-P-C4' energy: -81.762 flat angles P-C4'-P energy: -56.876 tors. eta vs tors. theta energy: -82.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1007.641204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.641204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.641204 (E_RNA) where: Base-Base interactions energy: -657.288 where: short stacking energy: -292.572 Base-Backbone interact. energy: 1.028 local terms energy: -351.381149 where: bonds (distance) C4'-P energy: -78.204 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -77.901 flat angles P-C4'-P energy: -37.961 tors. eta vs tors. theta energy: -70.737 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -622.882719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.882719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.882719 (E_RNA) where: Base-Base interactions energy: -341.023 where: short stacking energy: -182.664 Base-Backbone interact. energy: -2.864 local terms energy: -278.995769 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -37.482 tors. eta vs tors. theta energy: -16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -531.867792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.867792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.867792 (E_RNA) where: Base-Base interactions energy: -263.398 where: short stacking energy: -164.960 Base-Backbone interact. energy: -1.355 local terms energy: -267.114626 where: bonds (distance) C4'-P energy: -71.456 bonds (distance) P-C4' energy: -74.524 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -39.553 tors. eta vs tors. theta energy: -7.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1653.184790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.184790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.184790 (E_RNA) where: Base-Base interactions energy: -1161.353 where: short stacking energy: -496.538 Base-Backbone interact. energy: 1.906 local terms energy: -493.738720 where: bonds (distance) C4'-P energy: -90.842 bonds (distance) P-C4' energy: -93.049 flat angles C4'-P-C4' energy: -99.274 flat angles P-C4'-P energy: -78.406 tors. eta vs tors. theta energy: -132.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1571.481063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.481063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.481063 (E_RNA) where: Base-Base interactions energy: -1121.255 where: short stacking energy: -457.439 Base-Backbone interact. energy: -0.924 local terms energy: -449.302015 where: bonds (distance) C4'-P energy: -86.142 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -99.472 flat angles P-C4'-P energy: -62.636 tors. eta vs tors. theta energy: -115.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1473.476550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.476550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.476550 (E_RNA) where: Base-Base interactions energy: -1030.740 where: short stacking energy: -403.240 Base-Backbone interact. energy: -4.509 local terms energy: -438.228246 where: bonds (distance) C4'-P energy: -78.929 bonds (distance) P-C4' energy: -90.276 flat angles C4'-P-C4' energy: -86.608 flat angles P-C4'-P energy: -69.769 tors. eta vs tors. theta energy: -112.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1402.457999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.457999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.457999 (E_RNA) where: Base-Base interactions energy: -961.029 where: short stacking energy: -399.283 Base-Backbone interact. energy: -4.671 local terms energy: -436.758292 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -103.947 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: 126 Temperature: 1.100000 Total energy: -1324.816261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.816261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.816261 (E_RNA) where: Base-Base interactions energy: -929.389 where: short stacking energy: -382.780 Base-Backbone interact. energy: -5.245 local terms energy: -390.182440 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -77.724 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -100.064 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: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1216.186369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.186369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.186369 (E_RNA) where: Base-Base interactions energy: -811.767 where: short stacking energy: -351.831 Base-Backbone interact. energy: 0.185 local terms energy: -404.604522 where: bonds (distance) C4'-P energy: -83.941 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -88.247 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -86.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1113.716390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.716390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.716390 (E_RNA) where: Base-Base interactions energy: -759.733 where: short stacking energy: -327.916 Base-Backbone interact. energy: 6.641 local terms energy: -360.624731 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -88.315 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -62.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1019.631327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.631327 (E_RNA) where: Base-Base interactions energy: -666.654 where: short stacking energy: -268.216 Base-Backbone interact. energy: 1.311 local terms energy: -354.288524 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -81.038 flat angles P-C4'-P energy: -51.056 tors. eta vs tors. theta energy: -62.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -682.308166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.308166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.308166 (E_RNA) where: Base-Base interactions energy: -391.023 where: short stacking energy: -181.788 Base-Backbone interact. energy: 0.960 local terms energy: -292.244892 where: bonds (distance) C4'-P energy: -86.435 bonds (distance) P-C4' energy: -78.043 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -38.605 tors. eta vs tors. theta energy: -22.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -495.375416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.375416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.375416 (E_RNA) where: Base-Base interactions energy: -248.096 where: short stacking energy: -148.537 Base-Backbone interact. energy: 3.268 local terms energy: -250.547185 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -83.276 flat angles C4'-P-C4' energy: -59.075 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: 10.821 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: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1674.819914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.819914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.819914 (E_RNA) where: Base-Base interactions energy: -1160.832 where: short stacking energy: -507.609 Base-Backbone interact. energy: -1.307 local terms energy: -512.680722 where: bonds (distance) C4'-P energy: -98.720 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -111.418 flat angles P-C4'-P energy: -66.633 tors. eta vs tors. theta energy: -133.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1592.001683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.001683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.001683 (E_RNA) where: Base-Base interactions energy: -1122.726 where: short stacking energy: -460.250 Base-Backbone interact. energy: -2.540 local terms energy: -466.734814 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -93.630 flat angles C4'-P-C4' energy: -93.573 flat angles P-C4'-P energy: -62.731 tors. eta vs tors. theta energy: -116.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1498.375137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.375137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.375137 (E_RNA) where: Base-Base interactions energy: -1028.236 where: short stacking energy: -440.926 Base-Backbone interact. energy: -4.918 local terms energy: -465.221488 where: bonds (distance) C4'-P energy: -94.656 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -128.241 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: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1436.345518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.345518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.345518 (E_RNA) where: Base-Base interactions energy: -1010.644 where: short stacking energy: -403.686 Base-Backbone interact. energy: -2.838 local terms energy: -422.862997 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -97.636 flat angles P-C4'-P energy: -62.241 tors. eta vs tors. theta energy: -109.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1305.915960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.915960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.915960 (E_RNA) where: Base-Base interactions energy: -889.716 where: short stacking energy: -386.679 Base-Backbone interact. energy: -1.167 local terms energy: -415.032524 where: bonds (distance) C4'-P energy: -93.150 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -90.817 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -100.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1268.796848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.796848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.796848 (E_RNA) where: Base-Base interactions energy: -877.968 where: short stacking energy: -377.457 Base-Backbone interact. energy: -1.938 local terms energy: -388.890041 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -84.318 flat angles C4'-P-C4' energy: -99.441 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -96.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1125.596611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.596611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.596611 (E_RNA) where: Base-Base interactions energy: -784.904 where: short stacking energy: -341.623 Base-Backbone interact. energy: -2.062 local terms energy: -338.630476 where: bonds (distance) C4'-P energy: -69.616 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -75.651 flat angles P-C4'-P energy: -53.076 tors. eta vs tors. theta energy: -72.696 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -980.713263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.713263 (E_RNA) where: Base-Base interactions energy: -611.159 where: short stacking energy: -278.618 Base-Backbone interact. energy: -0.845 local terms energy: -368.708790 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -84.290 flat angles C4'-P-C4' energy: -96.813 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -51.402 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: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -704.936483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.936483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.936483 (E_RNA) where: Base-Base interactions energy: -401.331 where: short stacking energy: -197.828 Base-Backbone interact. energy: 3.279 local terms energy: -306.884400 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -78.351 flat angles C4'-P-C4' energy: -80.188 flat angles P-C4'-P energy: -53.490 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: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -514.490155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.490155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.490155 (E_RNA) where: Base-Base interactions energy: -266.570 where: short stacking energy: -154.959 Base-Backbone interact. energy: 0.514 local terms energy: -248.433554 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -81.433 flat angles C4'-P-C4' energy: -80.837 flat angles P-C4'-P energy: -31.489 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: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1682.697548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.697548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.697548 (E_RNA) where: Base-Base interactions energy: -1178.205 where: short stacking energy: -493.808 Base-Backbone interact. energy: -1.855 local terms energy: -502.637280 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -98.513 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -138.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1566.209210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.209210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.209210 (E_RNA) where: Base-Base interactions energy: -1082.468 where: short stacking energy: -458.726 Base-Backbone interact. energy: -1.949 local terms energy: -481.792703 where: bonds (distance) C4'-P energy: -91.606 bonds (distance) P-C4' energy: -100.259 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: -121.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1492.247184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.247184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.247184 (E_RNA) where: Base-Base interactions energy: -1041.669 where: short stacking energy: -440.078 Base-Backbone interact. energy: -4.976 local terms energy: -445.601832 where: bonds (distance) C4'-P energy: -81.310 bonds (distance) P-C4' energy: -83.023 flat angles C4'-P-C4' energy: -102.463 flat angles P-C4'-P energy: -57.209 tors. eta vs tors. theta energy: -121.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1411.845306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.845306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.845306 (E_RNA) where: Base-Base interactions energy: -998.475 where: short stacking energy: -401.101 Base-Backbone interact. energy: 0.164 local terms energy: -413.534302 where: bonds (distance) C4'-P energy: -81.728 bonds (distance) P-C4' energy: -80.962 flat angles C4'-P-C4' energy: -94.746 flat angles P-C4'-P energy: -54.149 tors. eta vs tors. theta energy: -101.949 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: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1328.726192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.726192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.726192 (E_RNA) where: Base-Base interactions energy: -927.807 where: short stacking energy: -392.697 Base-Backbone interact. energy: -3.584 local terms energy: -397.335178 where: bonds (distance) C4'-P energy: -70.086 bonds (distance) P-C4' energy: -81.901 flat angles C4'-P-C4' energy: -80.289 flat angles P-C4'-P energy: -61.146 tors. eta vs tors. theta energy: -103.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1311.192812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.192812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.192812 (E_RNA) where: Base-Base interactions energy: -894.397 where: short stacking energy: -385.652 Base-Backbone interact. energy: -2.144 local terms energy: -414.652692 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -88.924 flat angles C4'-P-C4' energy: -90.588 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -94.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1100.193613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.193613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.193613 (E_RNA) where: Base-Base interactions energy: -725.073 where: short stacking energy: -328.712 Base-Backbone interact. energy: -1.600 local terms energy: -373.520501 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -74.335 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -71.214 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: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1021.497468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.497468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.497468 (E_RNA) where: Base-Base interactions energy: -638.847 where: short stacking energy: -287.287 Base-Backbone interact. energy: 1.035 local terms energy: -383.686328 where: bonds (distance) C4'-P energy: -82.042 bonds (distance) P-C4' energy: -96.174 flat angles C4'-P-C4' energy: -85.795 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -65.950 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -728.063902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.063902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.063902 (E_RNA) where: Base-Base interactions energy: -445.453 where: short stacking energy: -248.083 Base-Backbone interact. energy: 2.389 local terms energy: -284.999325 where: bonds (distance) C4'-P energy: -63.869 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -65.085 flat angles P-C4'-P energy: -58.549 tors. eta vs tors. theta energy: -17.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -458.109359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.109359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.109359 (E_RNA) where: Base-Base interactions energy: -197.737 where: short stacking energy: -120.202 Base-Backbone interact. energy: -1.264 local terms energy: -259.108810 where: bonds (distance) C4'-P energy: -72.292 bonds (distance) P-C4' energy: -90.008 flat angles C4'-P-C4' energy: -77.851 flat angles P-C4'-P energy: -35.356 tors. eta vs tors. theta energy: 16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1674.376504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.376504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.376504 (E_RNA) where: Base-Base interactions energy: -1185.004 where: short stacking energy: -483.050 Base-Backbone interact. energy: -1.856 local terms energy: -487.516266 where: bonds (distance) C4'-P energy: -97.404 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -101.348 flat angles P-C4'-P energy: -69.889 tors. eta vs tors. theta energy: -131.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1576.779015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.779015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.779015 (E_RNA) where: Base-Base interactions energy: -1087.750 where: short stacking energy: -434.368 Base-Backbone interact. energy: -1.847 local terms energy: -487.181827 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -102.199 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -75.826 tors. eta vs tors. theta energy: -102.201 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: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1467.301789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.301789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.301789 (E_RNA) where: Base-Base interactions energy: -1016.883 where: short stacking energy: -419.265 Base-Backbone interact. energy: -3.534 local terms energy: -446.885182 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -91.773 flat angles C4'-P-C4' energy: -93.228 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -114.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1446.506334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.506334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.506334 (E_RNA) where: Base-Base interactions energy: -1036.243 where: short stacking energy: -419.547 Base-Backbone interact. energy: -3.856 local terms energy: -406.407678 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -82.677 flat angles P-C4'-P energy: -58.468 tors. eta vs tors. theta energy: -103.502 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: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1325.305550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.305550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.305550 (E_RNA) where: Base-Base interactions energy: -898.310 where: short stacking energy: -392.423 Base-Backbone interact. energy: 1.675 local terms energy: -428.671142 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -79.110 flat angles C4'-P-C4' energy: -97.230 flat angles P-C4'-P energy: -62.570 tors. eta vs tors. theta energy: -104.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1295.806133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.806133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.806133 (E_RNA) where: Base-Base interactions energy: -907.914 where: short stacking energy: -382.411 Base-Backbone interact. energy: 0.758 local terms energy: -388.650788 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -92.841 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: -91.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1099.064144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.064144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.064144 (E_RNA) where: Base-Base interactions energy: -730.068 where: short stacking energy: -309.737 Base-Backbone interact. energy: -2.089 local terms energy: -366.907303 where: bonds (distance) C4'-P energy: -75.675 bonds (distance) P-C4' energy: -86.366 flat angles C4'-P-C4' energy: -84.578 flat angles P-C4'-P energy: -54.972 tors. eta vs tors. theta energy: -65.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -985.527693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.527693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.527693 (E_RNA) where: Base-Base interactions energy: -650.135 where: short stacking energy: -293.099 Base-Backbone interact. energy: 1.284 local terms energy: -336.676600 where: bonds (distance) C4'-P energy: -67.325 bonds (distance) P-C4' energy: -83.546 flat angles C4'-P-C4' energy: -85.406 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -61.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -742.842998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.842998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.842998 (E_RNA) where: Base-Base interactions energy: -446.969 where: short stacking energy: -222.396 Base-Backbone interact. energy: -2.502 local terms energy: -293.371767 where: bonds (distance) C4'-P energy: -77.750 bonds (distance) P-C4' energy: -86.690 flat angles C4'-P-C4' energy: -60.981 flat angles P-C4'-P energy: -47.077 tors. eta vs tors. theta energy: -20.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -540.037040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.037040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.037040 (E_RNA) where: Base-Base interactions energy: -269.306 where: short stacking energy: -163.416 Base-Backbone interact. energy: 3.765 local terms energy: -274.496111 where: bonds (distance) C4'-P energy: -75.393 bonds (distance) P-C4' energy: -78.639 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -2.168 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: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1686.121407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.121407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.121407 (E_RNA) where: Base-Base interactions energy: -1161.385 where: short stacking energy: -495.884 Base-Backbone interact. energy: -1.591 local terms energy: -523.145181 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -116.571 flat angles P-C4'-P energy: -70.953 tors. eta vs tors. theta energy: -133.410 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: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1583.147328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.147328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.147328 (E_RNA) where: Base-Base interactions energy: -1106.314 where: short stacking energy: -443.301 Base-Backbone interact. energy: -4.937 local terms energy: -471.895584 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -101.504 flat angles C4'-P-C4' energy: -95.621 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -104.617 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: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1498.523406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.523406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.523406 (E_RNA) where: Base-Base interactions energy: -1050.706 where: short stacking energy: -425.760 Base-Backbone interact. energy: -2.303 local terms energy: -445.514809 where: bonds (distance) C4'-P energy: -87.530 bonds (distance) P-C4' energy: -88.744 flat angles C4'-P-C4' energy: -97.773 flat angles P-C4'-P energy: -56.579 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: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1469.761456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.761456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.761456 (E_RNA) where: Base-Base interactions energy: -1031.297 where: short stacking energy: -432.527 Base-Backbone interact. energy: -1.142 local terms energy: -437.322621 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -76.123 flat angles C4'-P-C4' energy: -100.349 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -110.611 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: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1346.443411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.443411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.443411 (E_RNA) where: Base-Base interactions energy: -908.166 where: short stacking energy: -404.341 Base-Backbone interact. energy: -3.535 local terms energy: -434.742503 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -76.807 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -72.897 tors. eta vs tors. theta energy: -107.550 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1285.659075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.659075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.659075 (E_RNA) where: Base-Base interactions energy: -857.500 where: short stacking energy: -396.654 Base-Backbone interact. energy: -0.109 local terms energy: -428.050013 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -92.805 flat angles C4'-P-C4' energy: -99.526 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -102.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1109.000084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.000084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.000084 (E_RNA) where: Base-Base interactions energy: -737.085 where: short stacking energy: -331.581 Base-Backbone interact. energy: 0.694 local terms energy: -372.609162 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -95.306 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -63.261 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: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1002.527183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.527183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.527183 (E_RNA) where: Base-Base interactions energy: -654.843 where: short stacking energy: -289.663 Base-Backbone interact. energy: -1.976 local terms energy: -345.708077 where: bonds (distance) C4'-P energy: -61.683 bonds (distance) P-C4' energy: -81.817 flat angles C4'-P-C4' energy: -85.125 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -53.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -783.070636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.070636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.070636 (E_RNA) where: Base-Base interactions energy: -467.887 where: short stacking energy: -229.022 Base-Backbone interact. energy: -3.186 local terms energy: -311.998276 where: bonds (distance) C4'-P energy: -62.971 bonds (distance) P-C4' energy: -84.686 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -46.585 tors. eta vs tors. theta energy: -37.766 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: 130 Temperature: 1.350000 Total energy: -514.889145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.889145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.889145 (E_RNA) where: Base-Base interactions energy: -257.936 where: short stacking energy: -135.562 Base-Backbone interact. energy: -1.238 local terms energy: -255.715582 where: bonds (distance) C4'-P energy: -72.599 bonds (distance) P-C4' energy: -73.030 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1686.650340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.650340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.650340 (E_RNA) where: Base-Base interactions energy: -1165.978 where: short stacking energy: -481.165 Base-Backbone interact. energy: -5.169 local terms energy: -515.503683 where: bonds (distance) C4'-P energy: -91.622 bonds (distance) P-C4' energy: -105.855 flat angles C4'-P-C4' energy: -110.524 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -129.972 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: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1566.738677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.738677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.738677 (E_RNA) where: Base-Base interactions energy: -1070.994 where: short stacking energy: -444.004 Base-Backbone interact. energy: -1.807 local terms energy: -493.938130 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -94.825 flat angles C4'-P-C4' energy: -113.475 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -113.591 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: 131 Temperature: 1.000000 Total energy: -1500.646557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.646557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.646557 (E_RNA) where: Base-Base interactions energy: -1036.268 where: short stacking energy: -431.190 Base-Backbone interact. energy: -3.056 local terms energy: -461.323377 where: bonds (distance) C4'-P energy: -91.062 bonds (distance) P-C4' energy: -94.273 flat angles C4'-P-C4' energy: -106.726 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -108.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1431.530881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.530881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.530881 (E_RNA) where: Base-Base interactions energy: -987.517 where: short stacking energy: -422.432 Base-Backbone interact. energy: 0.064 local terms energy: -444.078291 where: bonds (distance) C4'-P energy: -91.197 bonds (distance) P-C4' energy: -86.143 flat angles C4'-P-C4' energy: -104.771 flat angles P-C4'-P energy: -62.748 tors. eta vs tors. theta energy: -99.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1344.833169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.833169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.833169 (E_RNA) where: Base-Base interactions energy: -896.382 where: short stacking energy: -409.614 Base-Backbone interact. energy: -3.575 local terms energy: -444.876196 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -103.156 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -93.524 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: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1263.056720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.056720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.056720 (E_RNA) where: Base-Base interactions energy: -854.982 where: short stacking energy: -367.594 Base-Backbone interact. energy: -2.979 local terms energy: -405.095455 where: bonds (distance) C4'-P energy: -77.142 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -63.453 tors. eta vs tors. theta energy: -99.436 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: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1134.124456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.124456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.124456 (E_RNA) where: Base-Base interactions energy: -787.989 where: short stacking energy: -322.578 Base-Backbone interact. energy: -2.630 local terms energy: -343.505990 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -85.709 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -66.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -982.200581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.200581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.200581 (E_RNA) where: Base-Base interactions energy: -652.195 where: short stacking energy: -283.199 Base-Backbone interact. energy: -2.487 local terms energy: -327.518848 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -51.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -792.520787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.520787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.520787 (E_RNA) where: Base-Base interactions energy: -467.760 where: short stacking energy: -234.896 Base-Backbone interact. energy: 3.602 local terms energy: -328.362824 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -79.279 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -51.617 tors. eta vs tors. theta energy: -38.354 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: 131 Temperature: 1.350000 Total energy: -517.364302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.364302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.364302 (E_RNA) where: Base-Base interactions energy: -260.351 where: short stacking energy: -165.192 Base-Backbone interact. energy: 1.365 local terms energy: -258.378702 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -53.193 tors. eta vs tors. theta energy: 4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1601.315816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.315816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.315816 (E_RNA) where: Base-Base interactions energy: -1157.196 where: short stacking energy: -460.723 Base-Backbone interact. energy: -2.934 local terms energy: -441.185622 where: bonds (distance) C4'-P energy: -81.140 bonds (distance) P-C4' energy: -89.880 flat angles C4'-P-C4' energy: -94.587 flat angles P-C4'-P energy: -61.798 tors. eta vs tors. theta energy: -113.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1608.942763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.942763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.942763 (E_RNA) where: Base-Base interactions energy: -1114.903 where: short stacking energy: -492.008 Base-Backbone interact. energy: -1.282 local terms energy: -492.757870 where: bonds (distance) C4'-P energy: -95.916 bonds (distance) P-C4' energy: -81.371 flat angles C4'-P-C4' energy: -108.668 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -134.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1487.272930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.272930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.272930 (E_RNA) where: Base-Base interactions energy: -1042.421 where: short stacking energy: -422.029 Base-Backbone interact. energy: -0.506 local terms energy: -444.345563 where: bonds (distance) C4'-P energy: -79.526 bonds (distance) P-C4' energy: -84.306 flat angles C4'-P-C4' energy: -104.222 flat angles P-C4'-P energy: -70.476 tors. eta vs tors. theta energy: -105.815 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: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1429.278442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.278442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.278442 (E_RNA) where: Base-Base interactions energy: -963.579 where: short stacking energy: -402.193 Base-Backbone interact. energy: 0.979 local terms energy: -466.678287 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -98.340 flat angles C4'-P-C4' energy: -96.595 flat angles P-C4'-P energy: -68.371 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: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1359.001355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.001355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.001355 (E_RNA) where: Base-Base interactions energy: -949.679 where: short stacking energy: -394.948 Base-Backbone interact. energy: 0.189 local terms energy: -409.511962 where: bonds (distance) C4'-P energy: -79.477 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -91.373 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -95.074 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: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1279.188849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.188849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.188849 (E_RNA) where: Base-Base interactions energy: -860.909 where: short stacking energy: -372.902 Base-Backbone interact. energy: -1.926 local terms energy: -416.353659 where: bonds (distance) C4'-P energy: -89.120 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -101.828 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: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1105.668110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.668110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.668110 (E_RNA) where: Base-Base interactions energy: -731.700 where: short stacking energy: -304.693 Base-Backbone interact. energy: 2.660 local terms energy: -376.627470 where: bonds (distance) C4'-P energy: -80.050 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -70.196 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -77.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -938.167928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.167928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.167928 (E_RNA) where: Base-Base interactions energy: -629.429 where: short stacking energy: -282.360 Base-Backbone interact. energy: -1.381 local terms energy: -307.358591 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -74.149 flat angles C4'-P-C4' energy: -86.202 flat angles P-C4'-P energy: -42.631 tors. eta vs tors. theta energy: -23.366 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: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -724.978997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.978997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.978997 (E_RNA) where: Base-Base interactions energy: -412.521 where: short stacking energy: -203.641 Base-Backbone interact. energy: -1.459 local terms energy: -310.999045 where: bonds (distance) C4'-P energy: -81.093 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -54.904 tors. eta vs tors. theta energy: -14.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -496.020045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.020045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.020045 (E_RNA) where: Base-Base interactions energy: -286.321 where: short stacking energy: -155.515 Base-Backbone interact. energy: 1.452 local terms energy: -211.151036 where: bonds (distance) C4'-P energy: -47.192 bonds (distance) P-C4' energy: -73.949 flat angles C4'-P-C4' energy: -64.392 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: 7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1597.043682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.043682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.043682 (E_RNA) where: Base-Base interactions energy: -1108.076 where: short stacking energy: -472.919 Base-Backbone interact. energy: -2.357 local terms energy: -486.611087 where: bonds (distance) C4'-P energy: -88.334 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -112.184 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -119.030 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: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1607.358124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.358124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.358124 (E_RNA) where: Base-Base interactions energy: -1138.901 where: short stacking energy: -504.240 Base-Backbone interact. energy: -0.759 local terms energy: -467.697254 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -79.961 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -64.202 tors. eta vs tors. theta energy: -137.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1510.038008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.038008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.038008 (E_RNA) where: Base-Base interactions energy: -1036.035 where: short stacking energy: -427.048 Base-Backbone interact. energy: -2.267 local terms energy: -471.735930 where: bonds (distance) C4'-P energy: -94.831 bonds (distance) P-C4' energy: -84.653 flat angles C4'-P-C4' energy: -98.595 flat angles P-C4'-P energy: -70.073 tors. eta vs tors. theta energy: -123.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1460.394956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.394956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.394956 (E_RNA) where: Base-Base interactions energy: -1015.183 where: short stacking energy: -426.917 Base-Backbone interact. energy: 0.104 local terms energy: -445.315745 where: bonds (distance) C4'-P energy: -80.759 bonds (distance) P-C4' energy: -85.806 flat angles C4'-P-C4' energy: -100.168 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -106.453 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1349.435751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.435751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.435751 (E_RNA) where: Base-Base interactions energy: -897.713 where: short stacking energy: -395.349 Base-Backbone interact. energy: -0.629 local terms energy: -451.093581 where: bonds (distance) C4'-P energy: -81.426 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -105.061 flat angles P-C4'-P energy: -64.341 tors. eta vs tors. theta energy: -108.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1310.113632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.113632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.113632 (E_RNA) where: Base-Base interactions energy: -901.664 where: short stacking energy: -423.247 Base-Backbone interact. energy: -1.861 local terms energy: -406.588541 where: bonds (distance) C4'-P energy: -82.605 bonds (distance) P-C4' energy: -68.538 flat angles C4'-P-C4' energy: -82.969 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: -104.355 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: 133 Temperature: 1.200000 Total energy: -1076.959345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.959345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.959345 (E_RNA) where: Base-Base interactions energy: -701.634 where: short stacking energy: -283.906 Base-Backbone interact. energy: 2.030 local terms energy: -377.354637 where: bonds (distance) C4'-P energy: -93.752 bonds (distance) P-C4' energy: -95.642 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -54.062 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: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -962.771932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.771932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.771932 (E_RNA) where: Base-Base interactions energy: -616.197 where: short stacking energy: -253.235 Base-Backbone interact. energy: -1.914 local terms energy: -344.661027 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -88.967 flat angles C4'-P-C4' energy: -77.666 flat angles P-C4'-P energy: -49.719 tors. eta vs tors. theta energy: -48.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -758.290804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.290804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.290804 (E_RNA) where: Base-Base interactions energy: -448.341 where: short stacking energy: -209.202 Base-Backbone interact. energy: -2.107 local terms energy: -307.843393 where: bonds (distance) C4'-P energy: -87.919 bonds (distance) P-C4' energy: -84.719 flat angles C4'-P-C4' energy: -72.511 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -12.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -516.334328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.334328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.334328 (E_RNA) where: Base-Base interactions energy: -238.847 where: short stacking energy: -157.281 Base-Backbone interact. energy: -1.471 local terms energy: -276.016670 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -56.518 tors. eta vs tors. theta energy: -6.669 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: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1588.021203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.021203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.021203 (E_RNA) where: Base-Base interactions energy: -1114.318 where: short stacking energy: -466.890 Base-Backbone interact. energy: -0.076 local terms energy: -473.627327 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -97.865 flat angles C4'-P-C4' energy: -107.848 flat angles P-C4'-P energy: -70.845 tors. eta vs tors. theta energy: -114.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1614.204644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.204644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.204644 (E_RNA) where: Base-Base interactions energy: -1117.250 where: short stacking energy: -486.137 Base-Backbone interact. energy: -2.014 local terms energy: -494.940596 where: bonds (distance) C4'-P energy: -86.921 bonds (distance) P-C4' energy: -94.152 flat angles C4'-P-C4' energy: -107.738 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -137.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1502.573143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.573143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.573143 (E_RNA) where: Base-Base interactions energy: -1028.873 where: short stacking energy: -427.360 Base-Backbone interact. energy: -1.160 local terms energy: -472.540254 where: bonds (distance) C4'-P energy: -83.513 bonds (distance) P-C4' energy: -92.229 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -69.189 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: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1453.133896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.133896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.133896 (E_RNA) where: Base-Base interactions energy: -1025.009 where: short stacking energy: -438.056 Base-Backbone interact. energy: 2.137 local terms energy: -430.261266 where: bonds (distance) C4'-P energy: -81.773 bonds (distance) P-C4' energy: -88.449 flat angles C4'-P-C4' energy: -85.829 flat angles P-C4'-P energy: -61.271 tors. eta vs tors. theta energy: -112.939 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: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1345.614876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.614876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.614876 (E_RNA) where: Base-Base interactions energy: -922.386 where: short stacking energy: -382.009 Base-Backbone interact. energy: -2.121 local terms energy: -421.107852 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -93.975 flat angles P-C4'-P energy: -66.086 tors. eta vs tors. theta energy: -96.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1261.462816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.462816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.462816 (E_RNA) where: Base-Base interactions energy: -865.986 where: short stacking energy: -395.494 Base-Backbone interact. energy: 1.322 local terms energy: -396.798855 where: bonds (distance) C4'-P energy: -71.845 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -94.560 flat angles P-C4'-P energy: -64.018 tors. eta vs tors. theta energy: -88.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1076.875315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.875315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.875315 (E_RNA) where: Base-Base interactions energy: -715.513 where: short stacking energy: -323.421 Base-Backbone interact. energy: 3.731 local terms energy: -365.092867 where: bonds (distance) C4'-P energy: -83.428 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -63.303 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: 8, replica: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -969.011369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.011369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.011369 (E_RNA) where: Base-Base interactions energy: -639.601 where: short stacking energy: -275.805 Base-Backbone interact. energy: 4.231 local terms energy: -333.641462 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -83.941 flat angles C4'-P-C4' energy: -79.841 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: -56.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -795.821668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.821668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.821668 (E_RNA) where: Base-Base interactions energy: -471.262 where: short stacking energy: -207.936 Base-Backbone interact. energy: 0.973 local terms energy: -325.532772 where: bonds (distance) C4'-P energy: -78.350 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -81.202 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -37.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -508.608339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.608339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.608339 (E_RNA) where: Base-Base interactions energy: -251.496 where: short stacking energy: -151.012 Base-Backbone interact. energy: 0.343 local terms energy: -257.455076 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -1.568 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: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1597.136937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.136937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.136937 (E_RNA) where: Base-Base interactions energy: -1125.748 where: short stacking energy: -453.206 Base-Backbone interact. energy: -2.059 local terms energy: -469.329327 where: bonds (distance) C4'-P energy: -97.429 bonds (distance) P-C4' energy: -91.311 flat angles C4'-P-C4' energy: -111.249 flat angles P-C4'-P energy: -59.840 tors. eta vs tors. theta energy: -109.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1578.862559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.862559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.862559 (E_RNA) where: Base-Base interactions energy: -1106.424 where: short stacking energy: -476.699 Base-Backbone interact. energy: 0.711 local terms energy: -473.149089 where: bonds (distance) C4'-P energy: -88.963 bonds (distance) P-C4' energy: -87.168 flat angles C4'-P-C4' energy: -94.473 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -127.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1515.351334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.351334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.351334 (E_RNA) where: Base-Base interactions energy: -1031.077 where: short stacking energy: -431.133 Base-Backbone interact. energy: -1.331 local terms energy: -482.943532 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -98.362 flat angles C4'-P-C4' energy: -101.505 flat angles P-C4'-P energy: -78.543 tors. eta vs tors. theta energy: -118.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1411.025026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.025026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.025026 (E_RNA) where: Base-Base interactions energy: -978.900 where: short stacking energy: -425.478 Base-Backbone interact. energy: -1.361 local terms energy: -430.764341 where: bonds (distance) C4'-P energy: -80.097 bonds (distance) P-C4' energy: -92.315 flat angles C4'-P-C4' energy: -96.211 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: -107.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1342.379120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.379120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.379120 (E_RNA) where: Base-Base interactions energy: -921.850 where: short stacking energy: -397.850 Base-Backbone interact. energy: -3.301 local terms energy: -417.228649 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -85.986 flat angles C4'-P-C4' energy: -101.208 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -99.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1257.232119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.232119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.232119 (E_RNA) where: Base-Base interactions energy: -860.654 where: short stacking energy: -379.511 Base-Backbone interact. energy: 3.210 local terms energy: -399.788732 where: bonds (distance) C4'-P energy: -75.925 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -83.711 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -91.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1093.537668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.537668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.537668 (E_RNA) where: Base-Base interactions energy: -734.174 where: short stacking energy: -334.049 Base-Backbone interact. energy: -0.864 local terms energy: -358.499659 where: bonds (distance) C4'-P energy: -78.798 bonds (distance) P-C4' energy: -80.808 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -74.870 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: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1028.649045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.649045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.649045 (E_RNA) where: Base-Base interactions energy: -660.973 where: short stacking energy: -271.448 Base-Backbone interact. energy: -4.826 local terms energy: -362.849855 where: bonds (distance) C4'-P energy: -67.697 bonds (distance) P-C4' energy: -90.875 flat angles C4'-P-C4' energy: -93.913 flat angles P-C4'-P energy: -61.862 tors. eta vs tors. theta energy: -48.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -784.769738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.769738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.769738 (E_RNA) where: Base-Base interactions energy: -452.288 where: short stacking energy: -229.616 Base-Backbone interact. energy: -0.678 local terms energy: -331.803575 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -82.909 flat angles C4'-P-C4' energy: -80.908 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -38.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -452.467040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.467040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.467040 (E_RNA) where: Base-Base interactions energy: -203.662 where: short stacking energy: -134.880 Base-Backbone interact. energy: -0.851 local terms energy: -247.953807 where: bonds (distance) C4'-P energy: -73.064 bonds (distance) P-C4' energy: -80.374 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -27.078 tors. eta vs tors. theta energy: 2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1613.486015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.486015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.486015 (E_RNA) where: Base-Base interactions energy: -1129.022 where: short stacking energy: -462.066 Base-Backbone interact. energy: -1.126 local terms energy: -483.338418 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -97.962 flat angles C4'-P-C4' energy: -105.381 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -115.484 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: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1591.676293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.676293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.676293 (E_RNA) where: Base-Base interactions energy: -1109.128 where: short stacking energy: -480.421 Base-Backbone interact. energy: -0.942 local terms energy: -481.605419 where: bonds (distance) C4'-P energy: -98.140 bonds (distance) P-C4' energy: -83.972 flat angles C4'-P-C4' energy: -106.764 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -134.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1440.596173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.596173 (E_RNA) where: Base-Base interactions energy: -1013.546 where: short stacking energy: -405.305 Base-Backbone interact. energy: 2.936 local terms energy: -429.986506 where: bonds (distance) C4'-P energy: -77.988 bonds (distance) P-C4' energy: -85.583 flat angles C4'-P-C4' energy: -101.626 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -101.638 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: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1434.855597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.855597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.855597 (E_RNA) where: Base-Base interactions energy: -987.442 where: short stacking energy: -410.817 Base-Backbone interact. energy: -4.412 local terms energy: -443.001054 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -91.599 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: -105.781 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1325.635047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.635047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.635047 (E_RNA) where: Base-Base interactions energy: -931.217 where: short stacking energy: -395.218 Base-Backbone interact. energy: -2.209 local terms energy: -392.209248 where: bonds (distance) C4'-P energy: -78.103 bonds (distance) P-C4' energy: -81.389 flat angles C4'-P-C4' energy: -86.047 flat angles P-C4'-P energy: -56.928 tors. eta vs tors. theta energy: -89.742 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: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1295.975654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.975654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.975654 (E_RNA) where: Base-Base interactions energy: -894.602 where: short stacking energy: -405.878 Base-Backbone interact. energy: -1.401 local terms energy: -399.972042 where: bonds (distance) C4'-P energy: -57.464 bonds (distance) P-C4' energy: -68.879 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -104.813 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: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1106.575357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.575357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.575357 (E_RNA) where: Base-Base interactions energy: -726.034 where: short stacking energy: -329.777 Base-Backbone interact. energy: -0.048 local terms energy: -380.493331 where: bonds (distance) C4'-P energy: -74.899 bonds (distance) P-C4' energy: -82.666 flat angles C4'-P-C4' energy: -85.229 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -77.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1005.891362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.891362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.891362 (E_RNA) where: Base-Base interactions energy: -646.803 where: short stacking energy: -293.880 Base-Backbone interact. energy: -1.194 local terms energy: -357.895004 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -87.060 flat angles C4'-P-C4' energy: -78.820 flat angles P-C4'-P energy: -45.387 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: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -770.099957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.099957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.099957 (E_RNA) where: Base-Base interactions energy: -470.877 where: short stacking energy: -234.774 Base-Backbone interact. energy: -1.372 local terms energy: -297.851257 where: bonds (distance) C4'-P energy: -71.214 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -36.290 tors. eta vs tors. theta energy: -29.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -533.988907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.988907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.988907 (E_RNA) where: Base-Base interactions energy: -254.732 where: short stacking energy: -177.379 Base-Backbone interact. energy: 4.248 local terms energy: -283.504882 where: bonds (distance) C4'-P energy: -86.993 bonds (distance) P-C4' energy: -83.526 flat angles C4'-P-C4' energy: -62.088 flat angles P-C4'-P energy: -35.124 tors. eta vs tors. theta energy: -15.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1644.219494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.219494 (E_RNA) where: Base-Base interactions energy: -1169.546 where: short stacking energy: -504.219 Base-Backbone interact. energy: 1.287 local terms energy: -475.960393 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -104.188 flat angles P-C4'-P energy: -68.288 tors. eta vs tors. theta energy: -121.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1601.822516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.822516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.822516 (E_RNA) where: Base-Base interactions energy: -1109.969 where: short stacking energy: -475.640 Base-Backbone interact. energy: -0.541 local terms energy: -491.312934 where: bonds (distance) C4'-P energy: -88.151 bonds (distance) P-C4' energy: -103.861 flat angles C4'-P-C4' energy: -100.805 flat angles P-C4'-P energy: -67.149 tors. eta vs tors. theta energy: -131.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1482.400662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.400662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.400662 (E_RNA) where: Base-Base interactions energy: -1036.692 where: short stacking energy: -412.330 Base-Backbone interact. energy: -1.402 local terms energy: -444.306452 where: bonds (distance) C4'-P energy: -89.531 bonds (distance) P-C4' energy: -87.847 flat angles C4'-P-C4' energy: -100.317 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -106.329 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: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1444.401895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.401895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.401895 (E_RNA) where: Base-Base interactions energy: -1019.530 where: short stacking energy: -430.128 Base-Backbone interact. energy: -2.531 local terms energy: -422.340676 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -91.286 flat angles C4'-P-C4' energy: -91.059 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -109.667 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1321.198915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.198915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.198915 (E_RNA) where: Base-Base interactions energy: -912.341 where: short stacking energy: -385.086 Base-Backbone interact. energy: -1.706 local terms energy: -407.152311 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -86.546 flat angles C4'-P-C4' energy: -83.288 flat angles P-C4'-P energy: -59.312 tors. eta vs tors. theta energy: -83.760 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: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1323.505889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.505889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.505889 (E_RNA) where: Base-Base interactions energy: -901.663 where: short stacking energy: -386.246 Base-Backbone interact. energy: -1.442 local terms energy: -420.401203 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -103.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1172.242381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.242381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.242381 (E_RNA) where: Base-Base interactions energy: -774.099 where: short stacking energy: -341.498 Base-Backbone interact. energy: -1.355 local terms energy: -396.789304 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -78.011 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -81.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1018.027941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.027941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.027941 (E_RNA) where: Base-Base interactions energy: -641.991 where: short stacking energy: -270.997 Base-Backbone interact. energy: 0.934 local terms energy: -376.970245 where: bonds (distance) C4'-P energy: -91.143 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -55.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -837.011417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.011417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.011417 (E_RNA) where: Base-Base interactions energy: -525.931 where: short stacking energy: -261.291 Base-Backbone interact. energy: -2.489 local terms energy: -308.591846 where: bonds (distance) C4'-P energy: -77.719 bonds (distance) P-C4' energy: -68.368 flat angles C4'-P-C4' energy: -86.624 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -37.953 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: 137 Temperature: 1.350000 Total energy: -517.742759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.742759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.742759 (E_RNA) where: Base-Base interactions energy: -235.608 where: short stacking energy: -171.239 Base-Backbone interact. energy: -0.951 local terms energy: -281.183362 where: bonds (distance) C4'-P energy: -67.853 bonds (distance) P-C4' energy: -96.747 flat angles C4'-P-C4' energy: -77.179 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -2.973 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: 138 Temperature: 0.900000 Total energy: -1645.674017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.674017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.674017 (E_RNA) where: Base-Base interactions energy: -1137.367 where: short stacking energy: -501.166 Base-Backbone interact. energy: 1.737 local terms energy: -510.044431 where: bonds (distance) C4'-P energy: -89.343 bonds (distance) P-C4' energy: -96.533 flat angles C4'-P-C4' energy: -107.070 flat angles P-C4'-P energy: -74.090 tors. eta vs tors. theta energy: -143.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1573.761489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.761489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.761489 (E_RNA) where: Base-Base interactions energy: -1106.974 where: short stacking energy: -449.451 Base-Backbone interact. energy: -3.002 local terms energy: -463.784713 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -96.150 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -76.472 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: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1499.237753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.237753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.237753 (E_RNA) where: Base-Base interactions energy: -1040.160 where: short stacking energy: -423.931 Base-Backbone interact. energy: -1.230 local terms energy: -457.846855 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -88.247 flat angles C4'-P-C4' energy: -99.522 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -111.082 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: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1438.511055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.511055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.511055 (E_RNA) where: Base-Base interactions energy: -1009.344 where: short stacking energy: -413.951 Base-Backbone interact. energy: -0.788 local terms energy: -428.379086 where: bonds (distance) C4'-P energy: -73.672 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -98.454 flat angles P-C4'-P energy: -70.010 tors. eta vs tors. theta energy: -86.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1403.277387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.277387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.277387 (E_RNA) where: Base-Base interactions energy: -943.834 where: short stacking energy: -429.389 Base-Backbone interact. energy: -1.033 local terms energy: -458.410941 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -87.276 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -114.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1299.560113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.560113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.560113 (E_RNA) where: Base-Base interactions energy: -887.067 where: short stacking energy: -359.965 Base-Backbone interact. energy: -4.138 local terms energy: -408.355071 where: bonds (distance) C4'-P energy: -80.441 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -94.294 flat angles P-C4'-P energy: -67.395 tors. eta vs tors. theta energy: -82.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1158.289961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.289961 (E_RNA) where: Base-Base interactions energy: -768.275 where: short stacking energy: -352.181 Base-Backbone interact. energy: -2.605 local terms energy: -387.410712 where: bonds (distance) C4'-P energy: -77.600 bonds (distance) P-C4' energy: -85.529 flat angles C4'-P-C4' energy: -85.941 flat angles P-C4'-P energy: -54.002 tors. eta vs tors. theta energy: -84.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1022.540268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.540268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.540268 (E_RNA) where: Base-Base interactions energy: -680.457 where: short stacking energy: -289.144 Base-Backbone interact. energy: 0.035 local terms energy: -342.118290 where: bonds (distance) C4'-P energy: -64.053 bonds (distance) P-C4' energy: -87.801 flat angles C4'-P-C4' energy: -77.541 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -62.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -844.273474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.273474 (E_RNA) where: Base-Base interactions energy: -499.683 where: short stacking energy: -221.773 Base-Backbone interact. energy: -1.543 local terms energy: -343.048002 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -87.044 flat angles C4'-P-C4' energy: -84.519 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -32.598 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: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -479.429666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.429666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.429666 (E_RNA) where: Base-Base interactions energy: -231.790 where: short stacking energy: -154.130 Base-Backbone interact. energy: 0.471 local terms energy: -248.110555 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -63.125 flat angles P-C4'-P energy: -46.051 tors. eta vs tors. theta energy: 9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1651.664676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.664676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.664676 (E_RNA) where: Base-Base interactions energy: -1134.022 where: short stacking energy: -502.007 Base-Backbone interact. energy: -2.125 local terms energy: -515.517264 where: bonds (distance) C4'-P energy: -101.461 bonds (distance) P-C4' energy: -93.777 flat angles C4'-P-C4' energy: -105.500 flat angles P-C4'-P energy: -71.961 tors. eta vs tors. theta energy: -142.818 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: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1569.614780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.614780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.614780 (E_RNA) where: Base-Base interactions energy: -1117.415 where: short stacking energy: -471.747 Base-Backbone interact. energy: -2.518 local terms energy: -449.681289 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -117.306 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: 139 Temperature: 1.000000 Total energy: -1528.878765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.878765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.878765 (E_RNA) where: Base-Base interactions energy: -1065.263 where: short stacking energy: -429.262 Base-Backbone interact. energy: -1.496 local terms energy: -462.120563 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -89.780 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -66.098 tors. eta vs tors. theta energy: -111.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1445.484240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.484240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.484240 (E_RNA) where: Base-Base interactions energy: -998.933 where: short stacking energy: -410.279 Base-Backbone interact. energy: -1.388 local terms energy: -445.162722 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -94.029 flat angles P-C4'-P energy: -70.474 tors. eta vs tors. theta energy: -98.132 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: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1375.983917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.983917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.983917 (E_RNA) where: Base-Base interactions energy: -926.281 where: short stacking energy: -431.056 Base-Backbone interact. energy: -0.595 local terms energy: -449.107903 where: bonds (distance) C4'-P energy: -81.790 bonds (distance) P-C4' energy: -86.663 flat angles C4'-P-C4' energy: -102.634 flat angles P-C4'-P energy: -61.598 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: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1279.828797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.828797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.828797 (E_RNA) where: Base-Base interactions energy: -875.368 where: short stacking energy: -373.991 Base-Backbone interact. energy: 1.848 local terms energy: -406.309450 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -97.437 flat angles C4'-P-C4' energy: -96.598 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: -85.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1153.361364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.361364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.361364 (E_RNA) where: Base-Base interactions energy: -740.029 where: short stacking energy: -342.032 Base-Backbone interact. energy: 0.096 local terms energy: -413.428081 where: bonds (distance) C4'-P energy: -100.983 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -96.442 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -85.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1041.580839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.580839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.580839 (E_RNA) where: Base-Base interactions energy: -680.120 where: short stacking energy: -286.847 Base-Backbone interact. energy: -1.429 local terms energy: -360.032305 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -97.231 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -63.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -803.533554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.533554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.533554 (E_RNA) where: Base-Base interactions energy: -483.664 where: short stacking energy: -247.789 Base-Backbone interact. energy: 4.220 local terms energy: -324.090154 where: bonds (distance) C4'-P energy: -73.230 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -65.880 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -45.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -461.610558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.610558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.610558 (E_RNA) where: Base-Base interactions energy: -203.485 where: short stacking energy: -110.793 Base-Backbone interact. energy: 0.476 local terms energy: -258.601520 where: bonds (distance) C4'-P energy: -73.697 bonds (distance) P-C4' energy: -88.440 flat angles C4'-P-C4' energy: -66.185 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: 7.163 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: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1676.914735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.914735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.914735 (E_RNA) where: Base-Base interactions energy: -1175.631 where: short stacking energy: -497.117 Base-Backbone interact. energy: -1.452 local terms energy: -499.832078 where: bonds (distance) C4'-P energy: -78.706 bonds (distance) P-C4' energy: -95.456 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -74.263 tors. eta vs tors. theta energy: -142.401 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1592.703814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.703814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.703814 (E_RNA) where: Base-Base interactions energy: -1107.385 where: short stacking energy: -475.999 Base-Backbone interact. energy: -1.935 local terms energy: -483.383733 where: bonds (distance) C4'-P energy: -81.789 bonds (distance) P-C4' energy: -102.279 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -124.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1506.471686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.471686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.471686 (E_RNA) where: Base-Base interactions energy: -1042.384 where: short stacking energy: -431.090 Base-Backbone interact. energy: 2.215 local terms energy: -466.302371 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -97.029 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: -111.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1413.867848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.867848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.867848 (E_RNA) where: Base-Base interactions energy: -984.634 where: short stacking energy: -412.932 Base-Backbone interact. energy: -3.726 local terms energy: -425.507847 where: bonds (distance) C4'-P energy: -88.337 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -94.400 flat angles P-C4'-P energy: -60.785 tors. eta vs tors. theta energy: -98.680 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: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1362.716463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.716463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.716463 (E_RNA) where: Base-Base interactions energy: -918.850 where: short stacking energy: -422.478 Base-Backbone interact. energy: -3.232 local terms energy: -440.634585 where: bonds (distance) C4'-P energy: -83.285 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -97.054 flat angles P-C4'-P energy: -54.577 tors. eta vs tors. theta energy: -117.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1260.910622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.910622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.910622 (E_RNA) where: Base-Base interactions energy: -862.157 where: short stacking energy: -365.620 Base-Backbone interact. energy: -0.158 local terms energy: -398.595230 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -96.337 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -91.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1162.338712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.338712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.338712 (E_RNA) where: Base-Base interactions energy: -783.009 where: short stacking energy: -355.433 Base-Backbone interact. energy: -1.633 local terms energy: -377.696605 where: bonds (distance) C4'-P energy: -69.310 bonds (distance) P-C4' energy: -71.343 flat angles C4'-P-C4' energy: -77.241 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -92.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1038.780245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.780245 (E_RNA) where: Base-Base interactions energy: -678.383 where: short stacking energy: -287.531 Base-Backbone interact. energy: -2.514 local terms energy: -357.883227 where: bonds (distance) C4'-P energy: -80.919 bonds (distance) P-C4' energy: -79.176 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -56.613 tors. eta vs tors. theta energy: -55.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -755.237774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.237774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.237774 (E_RNA) where: Base-Base interactions energy: -470.411 where: short stacking energy: -234.639 Base-Backbone interact. energy: 0.334 local terms energy: -285.160674 where: bonds (distance) C4'-P energy: -58.472 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -77.568 flat angles P-C4'-P energy: -31.386 tors. eta vs tors. theta energy: -45.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -525.842053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.842053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.842053 (E_RNA) where: Base-Base interactions energy: -258.935 where: short stacking energy: -170.057 Base-Backbone interact. energy: -2.656 local terms energy: -264.251680 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -87.492 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -40.625 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1661.484244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.484244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.484244 (E_RNA) where: Base-Base interactions energy: -1145.647 where: short stacking energy: -488.960 Base-Backbone interact. energy: -2.939 local terms energy: -512.897493 where: bonds (distance) C4'-P energy: -95.010 bonds (distance) P-C4' energy: -84.252 flat angles C4'-P-C4' energy: -114.111 flat angles P-C4'-P energy: -81.235 tors. eta vs tors. theta energy: -138.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1575.758749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.758749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.758749 (E_RNA) where: Base-Base interactions energy: -1110.080 where: short stacking energy: -476.095 Base-Backbone interact. energy: -1.720 local terms energy: -463.958399 where: bonds (distance) C4'-P energy: -79.866 bonds (distance) P-C4' energy: -97.759 flat angles C4'-P-C4' energy: -101.930 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -129.517 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: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1523.649293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.649293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.649293 (E_RNA) where: Base-Base interactions energy: -1061.743 where: short stacking energy: -420.760 Base-Backbone interact. energy: -3.157 local terms energy: -458.748716 where: bonds (distance) C4'-P energy: -93.791 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -94.392 flat angles P-C4'-P energy: -62.073 tors. eta vs tors. theta energy: -117.790 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: 141 Temperature: 1.050000 Total energy: -1440.517210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.517210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.517210 (E_RNA) where: Base-Base interactions energy: -996.595 where: short stacking energy: -423.170 Base-Backbone interact. energy: 0.664 local terms energy: -444.586463 where: bonds (distance) C4'-P energy: -83.843 bonds (distance) P-C4' energy: -97.620 flat angles C4'-P-C4' energy: -93.795 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: -99.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1369.652914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.652914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.652914 (E_RNA) where: Base-Base interactions energy: -914.638 where: short stacking energy: -427.691 Base-Backbone interact. energy: -2.192 local terms energy: -452.823264 where: bonds (distance) C4'-P energy: -73.368 bonds (distance) P-C4' energy: -85.084 flat angles C4'-P-C4' energy: -107.501 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -123.889 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: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1199.386176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.386176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.386176 (E_RNA) where: Base-Base interactions energy: -798.571 where: short stacking energy: -364.892 Base-Backbone interact. energy: -1.113 local terms energy: -399.702719 where: bonds (distance) C4'-P energy: -79.331 bonds (distance) P-C4' energy: -84.401 flat angles C4'-P-C4' energy: -87.579 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -89.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1223.378857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.378857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.378857 (E_RNA) where: Base-Base interactions energy: -849.958 where: short stacking energy: -357.578 Base-Backbone interact. energy: 1.472 local terms energy: -374.892509 where: bonds (distance) C4'-P energy: -77.530 bonds (distance) P-C4' energy: -73.851 flat angles C4'-P-C4' energy: -79.366 flat angles P-C4'-P energy: -53.624 tors. eta vs tors. theta energy: -90.523 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: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1074.205708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.205708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.205708 (E_RNA) where: Base-Base interactions energy: -691.621 where: short stacking energy: -305.084 Base-Backbone interact. energy: -2.539 local terms energy: -380.045189 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -101.596 flat angles C4'-P-C4' energy: -90.629 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -67.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -754.528691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.528691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.528691 (E_RNA) where: Base-Base interactions energy: -459.251 where: short stacking energy: -225.558 Base-Backbone interact. energy: 1.705 local terms energy: -296.983221 where: bonds (distance) C4'-P energy: -94.575 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -75.126 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -493.351387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.351387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.351387 (E_RNA) where: Base-Base interactions energy: -230.557 where: short stacking energy: -114.972 Base-Backbone interact. energy: -1.375 local terms energy: -261.419953 where: bonds (distance) C4'-P energy: -78.107 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -59.231 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: 6.305 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1689.731513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.731513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.731513 (E_RNA) where: Base-Base interactions energy: -1166.623 where: short stacking energy: -513.504 Base-Backbone interact. energy: -0.304 local terms energy: -522.804281 where: bonds (distance) C4'-P energy: -93.182 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -111.737 flat angles P-C4'-P energy: -73.706 tors. eta vs tors. theta energy: -149.128 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: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1565.712632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.712632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.712632 (E_RNA) where: Base-Base interactions energy: -1100.323 where: short stacking energy: -461.998 Base-Backbone interact. energy: -1.409 local terms energy: -463.980435 where: bonds (distance) C4'-P energy: -89.537 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -118.410 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: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1500.935073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.935073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.935073 (E_RNA) where: Base-Base interactions energy: -1051.904 where: short stacking energy: -438.004 Base-Backbone interact. energy: -1.737 local terms energy: -447.293523 where: bonds (distance) C4'-P energy: -76.516 bonds (distance) P-C4' energy: -95.616 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -62.185 tors. eta vs tors. theta energy: -118.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1432.315382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.315382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.315382 (E_RNA) where: Base-Base interactions energy: -1011.103 where: short stacking energy: -430.070 Base-Backbone interact. energy: -0.192 local terms energy: -421.019923 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -85.653 flat angles C4'-P-C4' energy: -96.548 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -99.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1343.894592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.894592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.894592 (E_RNA) where: Base-Base interactions energy: -912.571 where: short stacking energy: -424.739 Base-Backbone interact. energy: 2.198 local terms energy: -433.521784 where: bonds (distance) C4'-P energy: -80.140 bonds (distance) P-C4' energy: -96.107 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -69.168 tors. eta vs tors. theta energy: -107.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1170.909788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.909788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.909788 (E_RNA) where: Base-Base interactions energy: -778.386 where: short stacking energy: -355.225 Base-Backbone interact. energy: -1.156 local terms energy: -391.368189 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -100.435 flat angles C4'-P-C4' energy: -94.450 flat angles P-C4'-P energy: -52.001 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: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1232.918958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.918958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.918958 (E_RNA) where: Base-Base interactions energy: -848.037 where: short stacking energy: -384.549 Base-Backbone interact. energy: 0.107 local terms energy: -384.989418 where: bonds (distance) C4'-P energy: -53.867 bonds (distance) P-C4' energy: -96.654 flat angles C4'-P-C4' energy: -88.339 flat angles P-C4'-P energy: -56.855 tors. eta vs tors. theta energy: -89.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1048.377921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.377921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.377921 (E_RNA) where: Base-Base interactions energy: -700.873 where: short stacking energy: -293.135 Base-Backbone interact. energy: -1.808 local terms energy: -345.696657 where: bonds (distance) C4'-P energy: -64.521 bonds (distance) P-C4' energy: -96.011 flat angles C4'-P-C4' energy: -68.337 flat angles P-C4'-P energy: -62.129 tors. eta vs tors. theta energy: -54.699 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: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -834.152018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.152018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.152018 (E_RNA) where: Base-Base interactions energy: -554.786 where: short stacking energy: -241.030 Base-Backbone interact. energy: -1.942 local terms energy: -277.423533 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -81.303 flat angles C4'-P-C4' energy: -76.275 flat angles P-C4'-P energy: -33.444 tors. eta vs tors. theta energy: -22.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -500.928408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.928408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.928408 (E_RNA) where: Base-Base interactions energy: -248.802 where: short stacking energy: -140.074 Base-Backbone interact. energy: -0.100 local terms energy: -252.026744 where: bonds (distance) C4'-P energy: -67.552 bonds (distance) P-C4' energy: -84.844 flat angles C4'-P-C4' energy: -72.308 flat angles P-C4'-P energy: -29.827 tors. eta vs tors. theta energy: 2.504 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: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1659.469089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.469089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.469089 (E_RNA) where: Base-Base interactions energy: -1147.816 where: short stacking energy: -509.399 Base-Backbone interact. energy: -0.884 local terms energy: -510.769074 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -97.566 flat angles C4'-P-C4' energy: -100.402 flat angles P-C4'-P energy: -69.232 tors. eta vs tors. theta energy: -149.530 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1622.039139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.039139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.039139 (E_RNA) where: Base-Base interactions energy: -1163.614 where: short stacking energy: -489.448 Base-Backbone interact. energy: -2.429 local terms energy: -455.996093 where: bonds (distance) C4'-P energy: -80.662 bonds (distance) P-C4' energy: -92.337 flat angles C4'-P-C4' energy: -92.306 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -125.777 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: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1541.675296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.675296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.675296 (E_RNA) where: Base-Base interactions energy: -1083.646 where: short stacking energy: -428.068 Base-Backbone interact. energy: -0.689 local terms energy: -457.340571 where: bonds (distance) C4'-P energy: -93.838 bonds (distance) P-C4' energy: -93.318 flat angles C4'-P-C4' energy: -91.485 flat angles P-C4'-P energy: -63.688 tors. eta vs tors. theta energy: -115.012 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: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1389.961491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.961491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.961491 (E_RNA) where: Base-Base interactions energy: -957.679 where: short stacking energy: -408.440 Base-Backbone interact. energy: 1.847 local terms energy: -434.129635 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -98.239 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -92.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1346.922226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.922226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.922226 (E_RNA) where: Base-Base interactions energy: -915.644 where: short stacking energy: -417.485 Base-Backbone interact. energy: -2.131 local terms energy: -429.146639 where: bonds (distance) C4'-P energy: -83.225 bonds (distance) P-C4' energy: -79.599 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -68.975 tors. eta vs tors. theta energy: -108.417 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: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1266.200941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.200941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.200941 (E_RNA) where: Base-Base interactions energy: -859.486 where: short stacking energy: -372.375 Base-Backbone interact. energy: 0.155 local terms energy: -406.870573 where: bonds (distance) C4'-P energy: -69.752 bonds (distance) P-C4' energy: -90.743 flat angles C4'-P-C4' energy: -96.137 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -83.643 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: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1137.571576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.571576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.571576 (E_RNA) where: Base-Base interactions energy: -765.707 where: short stacking energy: -336.874 Base-Backbone interact. energy: -0.318 local terms energy: -371.546848 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -79.478 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -85.269 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: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -994.288473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.288473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.288473 (E_RNA) where: Base-Base interactions energy: -615.159 where: short stacking energy: -269.027 Base-Backbone interact. energy: -3.421 local terms energy: -375.708403 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -92.553 flat angles C4'-P-C4' energy: -90.526 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -49.662 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: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -914.246503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.246503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.246503 (E_RNA) where: Base-Base interactions energy: -584.937 where: short stacking energy: -255.919 Base-Backbone interact. energy: -2.476 local terms energy: -326.834217 where: bonds (distance) C4'-P energy: -76.291 bonds (distance) P-C4' energy: -81.906 flat angles C4'-P-C4' energy: -55.669 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -57.331 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: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -491.512029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.512029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.512029 (E_RNA) where: Base-Base interactions energy: -245.128 where: short stacking energy: -143.858 Base-Backbone interact. energy: 0.640 local terms energy: -247.024135 where: bonds (distance) C4'-P energy: -68.620 bonds (distance) P-C4' energy: -85.992 flat angles C4'-P-C4' energy: -65.074 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: 17.782 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: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1647.339089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.339089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.339089 (E_RNA) where: Base-Base interactions energy: -1146.845 where: short stacking energy: -503.005 Base-Backbone interact. energy: 0.361 local terms energy: -500.855240 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -96.334 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -70.531 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: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1573.100546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.100546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.100546 (E_RNA) where: Base-Base interactions energy: -1082.149 where: short stacking energy: -466.565 Base-Backbone interact. energy: -3.175 local terms energy: -487.777044 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -105.620 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: -128.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1519.690790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.690790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.690790 (E_RNA) where: Base-Base interactions energy: -1067.445 where: short stacking energy: -433.549 Base-Backbone interact. energy: -3.292 local terms energy: -448.953073 where: bonds (distance) C4'-P energy: -93.256 bonds (distance) P-C4' energy: -86.782 flat angles C4'-P-C4' energy: -97.875 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -107.849 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: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1399.065915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.065915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.065915 (E_RNA) where: Base-Base interactions energy: -982.348 where: short stacking energy: -394.088 Base-Backbone interact. energy: 2.029 local terms energy: -418.746900 where: bonds (distance) C4'-P energy: -80.337 bonds (distance) P-C4' energy: -79.487 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -59.106 tors. eta vs tors. theta energy: -96.996 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: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1358.144341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.144341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.144341 (E_RNA) where: Base-Base interactions energy: -942.512 where: short stacking energy: -423.055 Base-Backbone interact. energy: -0.163 local terms energy: -415.469261 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -102.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1295.983635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.983635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.983635 (E_RNA) where: Base-Base interactions energy: -876.001 where: short stacking energy: -386.442 Base-Backbone interact. energy: -3.292 local terms energy: -416.690608 where: bonds (distance) C4'-P energy: -76.690 bonds (distance) P-C4' energy: -86.040 flat angles C4'-P-C4' energy: -85.379 flat angles P-C4'-P energy: -62.392 tors. eta vs tors. theta energy: -106.190 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: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1104.287058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.287058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.287058 (E_RNA) where: Base-Base interactions energy: -737.541 where: short stacking energy: -310.107 Base-Backbone interact. energy: 0.045 local terms energy: -366.791521 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -80.000 flat angles C4'-P-C4' energy: -83.517 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -82.224 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: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1012.511520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.511520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.511520 (E_RNA) where: Base-Base interactions energy: -658.858 where: short stacking energy: -286.482 Base-Backbone interact. energy: 5.259 local terms energy: -358.912348 where: bonds (distance) C4'-P energy: -80.050 bonds (distance) P-C4' energy: -89.662 flat angles C4'-P-C4' energy: -83.080 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -58.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -957.886189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.886189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.886189 (E_RNA) where: Base-Base interactions energy: -617.300 where: short stacking energy: -276.114 Base-Backbone interact. energy: 4.856 local terms energy: -345.441930 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -45.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -469.528546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.528546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.528546 (E_RNA) where: Base-Base interactions energy: -212.706 where: short stacking energy: -134.583 Base-Backbone interact. energy: -2.020 local terms energy: -254.802765 where: bonds (distance) C4'-P energy: -82.908 bonds (distance) P-C4' energy: -70.703 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: 14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1630.873838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.873838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.873838 (E_RNA) where: Base-Base interactions energy: -1130.268 where: short stacking energy: -501.060 Base-Backbone interact. energy: -2.105 local terms energy: -498.500699 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -91.495 flat angles C4'-P-C4' energy: -103.287 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -146.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1583.790390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.790390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.790390 (E_RNA) where: Base-Base interactions energy: -1115.652 where: short stacking energy: -459.762 Base-Backbone interact. energy: -2.618 local terms energy: -465.520784 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -97.423 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -126.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1496.114957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.114957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.114957 (E_RNA) where: Base-Base interactions energy: -1060.996 where: short stacking energy: -434.978 Base-Backbone interact. energy: -0.380 local terms energy: -434.738881 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -104.675 flat angles P-C4'-P energy: -51.397 tors. eta vs tors. theta energy: -100.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1373.809059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.809059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.809059 (E_RNA) where: Base-Base interactions energy: -954.857 where: short stacking energy: -409.645 Base-Backbone interact. energy: 0.982 local terms energy: -419.934567 where: bonds (distance) C4'-P energy: -86.755 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -91.565 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: -93.907 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: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1373.331745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.331745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.331745 (E_RNA) where: Base-Base interactions energy: -948.439 where: short stacking energy: -414.637 Base-Backbone interact. energy: -2.606 local terms energy: -422.286308 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -79.442 flat angles C4'-P-C4' energy: -100.662 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -101.999 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1245.208339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.208339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.208339 (E_RNA) where: Base-Base interactions energy: -809.651 where: short stacking energy: -372.277 Base-Backbone interact. energy: -1.565 local terms energy: -433.992843 where: bonds (distance) C4'-P energy: -87.822 bonds (distance) P-C4' energy: -97.562 flat angles C4'-P-C4' energy: -97.254 flat angles P-C4'-P energy: -59.963 tors. eta vs tors. theta energy: -91.392 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: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1152.910900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.910900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.910900 (E_RNA) where: Base-Base interactions energy: -785.508 where: short stacking energy: -355.106 Base-Backbone interact. energy: 1.720 local terms energy: -369.123389 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -83.000 flat angles C4'-P-C4' energy: -93.852 flat angles P-C4'-P energy: -46.868 tors. eta vs tors. theta energy: -73.984 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: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1008.605477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.605477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.605477 (E_RNA) where: Base-Base interactions energy: -670.353 where: short stacking energy: -297.140 Base-Backbone interact. energy: -1.067 local terms energy: -337.185802 where: bonds (distance) C4'-P energy: -68.487 bonds (distance) P-C4' energy: -80.301 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -51.328 tors. eta vs tors. theta energy: -62.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -959.104774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.104774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.104774 (E_RNA) where: Base-Base interactions energy: -604.546 where: short stacking energy: -267.340 Base-Backbone interact. energy: -0.080 local terms energy: -354.479081 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -76.711 flat angles C4'-P-C4' energy: -84.225 flat angles P-C4'-P energy: -56.352 tors. eta vs tors. theta energy: -45.828 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: 145 Temperature: 1.350000 Total energy: -488.505310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.505310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.505310 (E_RNA) where: Base-Base interactions energy: -239.821 where: short stacking energy: -149.787 Base-Backbone interact. energy: -1.945 local terms energy: -246.739176 where: bonds (distance) C4'-P energy: -79.023 bonds (distance) P-C4' energy: -76.858 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -31.959 tors. eta vs tors. theta energy: 2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1619.798152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.798152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.798152 (E_RNA) where: Base-Base interactions energy: -1143.444 where: short stacking energy: -501.927 Base-Backbone interact. energy: -1.992 local terms energy: -474.362283 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -106.371 flat angles P-C4'-P energy: -68.445 tors. eta vs tors. theta energy: -140.966 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: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1578.443431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.443431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.443431 (E_RNA) where: Base-Base interactions energy: -1076.584 where: short stacking energy: -463.847 Base-Backbone interact. energy: -3.381 local terms energy: -498.478345 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -104.851 flat angles P-C4'-P energy: -75.531 tors. eta vs tors. theta energy: -131.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1524.094069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.094069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.094069 (E_RNA) where: Base-Base interactions energy: -1075.049 where: short stacking energy: -430.815 Base-Backbone interact. energy: -0.662 local terms energy: -448.383267 where: bonds (distance) C4'-P energy: -86.776 bonds (distance) P-C4' energy: -85.182 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -68.216 tors. eta vs tors. theta energy: -113.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1391.594064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.594064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.594064 (E_RNA) where: Base-Base interactions energy: -959.656 where: short stacking energy: -394.234 Base-Backbone interact. energy: -2.143 local terms energy: -429.795618 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -89.501 flat angles C4'-P-C4' energy: -89.449 flat angles P-C4'-P energy: -62.584 tors. eta vs tors. theta energy: -101.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1328.206752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.206752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.206752 (E_RNA) where: Base-Base interactions energy: -901.201 where: short stacking energy: -378.308 Base-Backbone interact. energy: -0.009 local terms energy: -426.996618 where: bonds (distance) C4'-P energy: -90.119 bonds (distance) P-C4' energy: -89.793 flat angles C4'-P-C4' energy: -86.662 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -93.897 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: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1231.242333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.242333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.242333 (E_RNA) where: Base-Base interactions energy: -801.276 where: short stacking energy: -369.428 Base-Backbone interact. energy: -0.790 local terms energy: -429.176323 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -95.173 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -104.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1203.966910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.966910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.966910 (E_RNA) where: Base-Base interactions energy: -809.180 where: short stacking energy: -324.285 Base-Backbone interact. energy: -0.100 local terms energy: -394.686116 where: bonds (distance) C4'-P energy: -83.226 bonds (distance) P-C4' energy: -93.445 flat angles C4'-P-C4' energy: -87.437 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -75.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1030.633579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.633579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.633579 (E_RNA) where: Base-Base interactions energy: -667.187 where: short stacking energy: -285.395 Base-Backbone interact. energy: 4.971 local terms energy: -368.416914 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -91.818 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -51.688 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: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -934.994626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.994626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.994626 (E_RNA) where: Base-Base interactions energy: -595.874 where: short stacking energy: -271.288 Base-Backbone interact. energy: -3.191 local terms energy: -335.929132 where: bonds (distance) C4'-P energy: -73.654 bonds (distance) P-C4' energy: -82.320 flat angles C4'-P-C4' energy: -82.754 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -45.324 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: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -491.776168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.776168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.776168 (E_RNA) where: Base-Base interactions energy: -195.667 where: short stacking energy: -132.828 Base-Backbone interact. energy: -2.232 local terms energy: -293.877304 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -56.195 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1617.076355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.076355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.076355 (E_RNA) where: Base-Base interactions energy: -1118.763 where: short stacking energy: -504.402 Base-Backbone interact. energy: 2.915 local terms energy: -501.228739 where: bonds (distance) C4'-P energy: -93.313 bonds (distance) P-C4' energy: -93.244 flat angles C4'-P-C4' energy: -106.656 flat angles P-C4'-P energy: -72.367 tors. eta vs tors. theta energy: -135.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1580.063648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.063648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.063648 (E_RNA) where: Base-Base interactions energy: -1107.831 where: short stacking energy: -472.406 Base-Backbone interact. energy: -0.725 local terms energy: -471.507664 where: bonds (distance) C4'-P energy: -90.143 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -98.089 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -127.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1548.997209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.997209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.997209 (E_RNA) where: Base-Base interactions energy: -1093.725 where: short stacking energy: -441.866 Base-Backbone interact. energy: 1.692 local terms energy: -456.963997 where: bonds (distance) C4'-P energy: -84.466 bonds (distance) P-C4' energy: -97.969 flat angles C4'-P-C4' energy: -95.739 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -112.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1401.225363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.225363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.225363 (E_RNA) where: Base-Base interactions energy: -983.160 where: short stacking energy: -406.432 Base-Backbone interact. energy: -3.349 local terms energy: -414.716255 where: bonds (distance) C4'-P energy: -80.150 bonds (distance) P-C4' energy: -81.687 flat angles C4'-P-C4' energy: -96.755 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -100.986 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: 147 Temperature: 1.100000 Total energy: -1332.379476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.379476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.379476 (E_RNA) where: Base-Base interactions energy: -911.005 where: short stacking energy: -375.605 Base-Backbone interact. energy: -2.774 local terms energy: -418.600363 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -73.034 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -58.439 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1203.710750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.710750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.710750 (E_RNA) where: Base-Base interactions energy: -806.230 where: short stacking energy: -374.324 Base-Backbone interact. energy: -1.529 local terms energy: -395.951724 where: bonds (distance) C4'-P energy: -70.213 bonds (distance) P-C4' energy: -90.937 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -53.485 tors. eta vs tors. theta energy: -96.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1154.583538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.583538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.583538 (E_RNA) where: Base-Base interactions energy: -756.343 where: short stacking energy: -317.434 Base-Backbone interact. energy: -3.464 local terms energy: -394.776654 where: bonds (distance) C4'-P energy: -82.095 bonds (distance) P-C4' energy: -94.482 flat angles C4'-P-C4' energy: -84.587 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -75.368 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: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -976.476874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.476874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.476874 (E_RNA) where: Base-Base interactions energy: -617.095 where: short stacking energy: -292.022 Base-Backbone interact. energy: -3.267 local terms energy: -356.114929 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -93.093 flat angles P-C4'-P energy: -68.118 tors. eta vs tors. theta energy: -51.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -979.630478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.630478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.630478 (E_RNA) where: Base-Base interactions energy: -656.698 where: short stacking energy: -287.267 Base-Backbone interact. energy: -1.294 local terms energy: -321.639244 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -81.587 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -40.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -457.486923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.486923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.486923 (E_RNA) where: Base-Base interactions energy: -220.381 where: short stacking energy: -150.015 Base-Backbone interact. energy: -2.675 local terms energy: -234.430765 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -72.288 flat angles C4'-P-C4' energy: -69.627 flat angles P-C4'-P energy: -26.443 tors. eta vs tors. theta energy: 1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1620.138900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.138900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.138900 (E_RNA) where: Base-Base interactions energy: -1121.290 where: short stacking energy: -478.875 Base-Backbone interact. energy: -1.036 local terms energy: -497.812581 where: bonds (distance) C4'-P energy: -101.430 bonds (distance) P-C4' energy: -95.694 flat angles C4'-P-C4' energy: -100.107 flat angles P-C4'-P energy: -76.999 tors. eta vs tors. theta energy: -123.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1595.546053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.546053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.546053 (E_RNA) where: Base-Base interactions energy: -1107.460 where: short stacking energy: -485.234 Base-Backbone interact. energy: 0.028 local terms energy: -488.114054 where: bonds (distance) C4'-P energy: -93.193 bonds (distance) P-C4' energy: -85.993 flat angles C4'-P-C4' energy: -99.481 flat angles P-C4'-P energy: -66.689 tors. eta vs tors. theta energy: -142.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1546.176635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.176635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.176635 (E_RNA) where: Base-Base interactions energy: -1072.118 where: short stacking energy: -411.112 Base-Backbone interact. energy: 1.400 local terms energy: -475.458351 where: bonds (distance) C4'-P energy: -86.978 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -96.039 flat angles P-C4'-P energy: -78.642 tors. eta vs tors. theta energy: -113.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1445.659760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.659760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.659760 (E_RNA) where: Base-Base interactions energy: -1004.886 where: short stacking energy: -399.823 Base-Backbone interact. energy: -3.188 local terms energy: -437.585257 where: bonds (distance) C4'-P energy: -85.626 bonds (distance) P-C4' energy: -91.215 flat angles C4'-P-C4' energy: -98.809 flat angles P-C4'-P energy: -64.037 tors. eta vs tors. theta energy: -97.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1314.498357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.498357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.498357 (E_RNA) where: Base-Base interactions energy: -890.940 where: short stacking energy: -392.410 Base-Backbone interact. energy: -2.361 local terms energy: -421.197000 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -97.446 flat angles P-C4'-P energy: -66.447 tors. eta vs tors. theta energy: -88.350 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: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1236.009056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.009056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.009056 (E_RNA) where: Base-Base interactions energy: -829.015 where: short stacking energy: -370.629 Base-Backbone interact. energy: -2.724 local terms energy: -404.270260 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -91.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1137.946231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.946231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.946231 (E_RNA) where: Base-Base interactions energy: -747.061 where: short stacking energy: -339.155 Base-Backbone interact. energy: 0.488 local terms energy: -391.372992 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -82.070 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -73.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1024.992179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.992179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.992179 (E_RNA) where: Base-Base interactions energy: -660.554 where: short stacking energy: -286.354 Base-Backbone interact. energy: 6.226 local terms energy: -370.664446 where: bonds (distance) C4'-P energy: -85.882 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -79.941 flat angles P-C4'-P energy: -61.068 tors. eta vs tors. theta energy: -61.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -951.110327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.110327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.110327 (E_RNA) where: Base-Base interactions energy: -615.863 where: short stacking energy: -276.267 Base-Backbone interact. energy: -2.149 local terms energy: -333.097762 where: bonds (distance) C4'-P energy: -85.369 bonds (distance) P-C4' energy: -65.047 flat angles C4'-P-C4' energy: -86.027 flat angles P-C4'-P energy: -46.827 tors. eta vs tors. theta energy: -49.828 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: 148 Temperature: 1.350000 Total energy: -492.035890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.035890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.035890 (E_RNA) where: Base-Base interactions energy: -233.103 where: short stacking energy: -159.778 Base-Backbone interact. energy: 8.119 local terms energy: -267.051928 where: bonds (distance) C4'-P energy: -67.095 bonds (distance) P-C4' energy: -83.181 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: 1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1607.763056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.763056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.763056 (E_RNA) where: Base-Base interactions energy: -1138.073 where: short stacking energy: -463.326 Base-Backbone interact. energy: -0.819 local terms energy: -468.871056 where: bonds (distance) C4'-P energy: -89.289 bonds (distance) P-C4' energy: -92.293 flat angles C4'-P-C4' energy: -112.210 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -119.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1593.032039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.032039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.032039 (E_RNA) where: Base-Base interactions energy: -1102.676 where: short stacking energy: -491.663 Base-Backbone interact. energy: 1.278 local terms energy: -491.633947 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -98.623 flat angles C4'-P-C4' energy: -100.654 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -140.815 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: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1527.987982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.987982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.987982 (E_RNA) where: Base-Base interactions energy: -1074.438 where: short stacking energy: -431.908 Base-Backbone interact. energy: -3.544 local terms energy: -450.005495 where: bonds (distance) C4'-P energy: -92.201 bonds (distance) P-C4' energy: -97.847 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -107.344 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: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1428.142838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.142838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.142838 (E_RNA) where: Base-Base interactions energy: -1003.818 where: short stacking energy: -409.207 Base-Backbone interact. energy: 0.669 local terms energy: -424.993078 where: bonds (distance) C4'-P energy: -77.017 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -106.626 flat angles P-C4'-P energy: -55.987 tors. eta vs tors. theta energy: -88.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1340.660456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.660456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.660456 (E_RNA) where: Base-Base interactions energy: -927.069 where: short stacking energy: -391.346 Base-Backbone interact. energy: -0.292 local terms energy: -413.299011 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -80.932 flat angles C4'-P-C4' energy: -96.696 flat angles P-C4'-P energy: -64.218 tors. eta vs tors. theta energy: -94.626 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: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1194.793243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.793243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.793243 (E_RNA) where: Base-Base interactions energy: -796.002 where: short stacking energy: -349.508 Base-Backbone interact. energy: -2.850 local terms energy: -395.941035 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -85.075 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: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1149.178038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.178038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.178038 (E_RNA) where: Base-Base interactions energy: -763.361 where: short stacking energy: -339.075 Base-Backbone interact. energy: -2.653 local terms energy: -383.163995 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -90.070 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -84.438 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: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1065.524182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.524182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.524182 (E_RNA) where: Base-Base interactions energy: -703.349 where: short stacking energy: -324.637 Base-Backbone interact. energy: -0.919 local terms energy: -361.255698 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -70.911 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -74.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -841.321337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.321337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.321337 (E_RNA) where: Base-Base interactions energy: -539.253 where: short stacking energy: -252.089 Base-Backbone interact. energy: -0.057 local terms energy: -302.010993 where: bonds (distance) C4'-P energy: -81.042 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -65.529 flat angles P-C4'-P energy: -39.552 tors. eta vs tors. theta energy: -42.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -495.758318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.758318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.758318 (E_RNA) where: Base-Base interactions energy: -220.561 where: short stacking energy: -160.559 Base-Backbone interact. energy: 1.113 local terms energy: -276.310809 where: bonds (distance) C4'-P energy: -75.042 bonds (distance) P-C4' energy: -92.581 flat angles C4'-P-C4' energy: -56.520 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -6.978 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: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1618.117697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.117697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.117697 (E_RNA) where: Base-Base interactions energy: -1133.307 where: short stacking energy: -477.852 Base-Backbone interact. energy: 3.422 local terms energy: -488.232747 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -107.449 flat angles C4'-P-C4' energy: -102.707 flat angles P-C4'-P energy: -62.443 tors. eta vs tors. theta energy: -123.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1582.896474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.896474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.896474 (E_RNA) where: Base-Base interactions energy: -1098.518 where: short stacking energy: -482.843 Base-Backbone interact. energy: -2.589 local terms energy: -481.788891 where: bonds (distance) C4'-P energy: -82.159 bonds (distance) P-C4' energy: -94.298 flat angles C4'-P-C4' energy: -98.412 flat angles P-C4'-P energy: -63.109 tors. eta vs tors. theta energy: -143.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1541.758612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.758612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.758612 (E_RNA) where: Base-Base interactions energy: -1098.404 where: short stacking energy: -441.924 Base-Backbone interact. energy: 1.641 local terms energy: -444.994914 where: bonds (distance) C4'-P energy: -96.470 bonds (distance) P-C4' energy: -88.900 flat angles C4'-P-C4' energy: -84.941 flat angles P-C4'-P energy: -66.848 tors. eta vs tors. theta energy: -107.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1426.551855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.551855 (E_RNA) where: Base-Base interactions energy: -1028.479 where: short stacking energy: -415.362 Base-Backbone interact. energy: -0.491 local terms energy: -397.581246 where: bonds (distance) C4'-P energy: -86.971 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -94.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1353.295298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.295298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.295298 (E_RNA) where: Base-Base interactions energy: -940.232 where: short stacking energy: -396.625 Base-Backbone interact. energy: -2.139 local terms energy: -410.924552 where: bonds (distance) C4'-P energy: -76.648 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -90.371 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: -99.230 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: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1184.155846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.155846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.155846 (E_RNA) where: Base-Base interactions energy: -785.570 where: short stacking energy: -342.005 Base-Backbone interact. energy: -1.333 local terms energy: -397.253289 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -81.788 flat angles C4'-P-C4' energy: -93.076 flat angles P-C4'-P energy: -55.424 tors. eta vs tors. theta energy: -77.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1195.126464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.126464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.126464 (E_RNA) where: Base-Base interactions energy: -811.836 where: short stacking energy: -352.090 Base-Backbone interact. energy: -2.431 local terms energy: -380.860259 where: bonds (distance) C4'-P energy: -71.788 bonds (distance) P-C4' energy: -79.093 flat angles C4'-P-C4' energy: -84.390 flat angles P-C4'-P energy: -54.163 tors. eta vs tors. theta energy: -91.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1006.970594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.970594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.970594 (E_RNA) where: Base-Base interactions energy: -652.142 where: short stacking energy: -300.804 Base-Backbone interact. energy: -1.640 local terms energy: -353.188058 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -82.748 flat angles C4'-P-C4' energy: -85.406 flat angles P-C4'-P energy: -43.847 tors. eta vs tors. theta energy: -67.756 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: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -807.865269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.865269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.865269 (E_RNA) where: Base-Base interactions energy: -499.041 where: short stacking energy: -231.471 Base-Backbone interact. energy: -0.722 local terms energy: -308.102301 where: bonds (distance) C4'-P energy: -61.610 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -83.571 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -32.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -446.076728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.076728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.076728 (E_RNA) where: Base-Base interactions energy: -203.428 where: short stacking energy: -115.831 Base-Backbone interact. energy: 2.070 local terms energy: -244.718747 where: bonds (distance) C4'-P energy: -66.258 bonds (distance) P-C4' energy: -87.267 flat angles C4'-P-C4' energy: -61.879 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: 11.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1633.151294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.151294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.151294 (E_RNA) where: Base-Base interactions energy: -1145.768 where: short stacking energy: -451.723 Base-Backbone interact. energy: -1.755 local terms energy: -485.627686 where: bonds (distance) C4'-P energy: -97.352 bonds (distance) P-C4' energy: -94.045 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -118.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1597.298578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.298578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.298578 (E_RNA) where: Base-Base interactions energy: -1101.869 where: short stacking energy: -423.809 Base-Backbone interact. energy: 2.882 local terms energy: -498.312225 where: bonds (distance) C4'-P energy: -99.763 bonds (distance) P-C4' energy: -100.805 flat angles C4'-P-C4' energy: -110.575 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -120.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1519.057471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.057471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.057471 (E_RNA) where: Base-Base interactions energy: -1039.002 where: short stacking energy: -487.981 Base-Backbone interact. energy: 0.161 local terms energy: -480.216270 where: bonds (distance) C4'-P energy: -84.376 bonds (distance) P-C4' energy: -92.292 flat angles C4'-P-C4' energy: -102.800 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: -141.210 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: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1436.105009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.105009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.105009 (E_RNA) where: Base-Base interactions energy: -1017.859 where: short stacking energy: -416.051 Base-Backbone interact. energy: 1.535 local terms energy: -419.781059 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -86.971 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -90.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1316.026893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.026893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.026893 (E_RNA) where: Base-Base interactions energy: -897.488 where: short stacking energy: -352.495 Base-Backbone interact. energy: -2.554 local terms energy: -415.985247 where: bonds (distance) C4'-P energy: -83.051 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -91.535 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: 10 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1189.710585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.710585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.710585 (E_RNA) where: Base-Base interactions energy: -786.155 where: short stacking energy: -370.871 Base-Backbone interact. energy: 2.032 local terms energy: -405.588180 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -77.513 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -69.075 tors. eta vs tors. theta energy: -88.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1185.104568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.104568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.104568 (E_RNA) where: Base-Base interactions energy: -794.747 where: short stacking energy: -350.426 Base-Backbone interact. energy: -2.506 local terms energy: -387.851856 where: bonds (distance) C4'-P energy: -76.192 bonds (distance) P-C4' energy: -71.419 flat angles C4'-P-C4' energy: -91.059 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -82.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1009.967130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.967130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.967130 (E_RNA) where: Base-Base interactions energy: -659.312 where: short stacking energy: -286.514 Base-Backbone interact. energy: -3.075 local terms energy: -347.579887 where: bonds (distance) C4'-P energy: -78.551 bonds (distance) P-C4' energy: -83.925 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -53.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -826.930089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.930089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.930089 (E_RNA) where: Base-Base interactions energy: -499.718 where: short stacking energy: -247.420 Base-Backbone interact. energy: -1.800 local terms energy: -325.412382 where: bonds (distance) C4'-P energy: -77.973 bonds (distance) P-C4' energy: -79.591 flat angles C4'-P-C4' energy: -70.880 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: -49.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -494.398940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.398940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.398940 (E_RNA) where: Base-Base interactions energy: -226.858 where: short stacking energy: -149.679 Base-Backbone interact. energy: -1.465 local terms energy: -266.075752 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -79.252 flat angles C4'-P-C4' energy: -69.512 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1639.920475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.920475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.920475 (E_RNA) where: Base-Base interactions energy: -1165.150 where: short stacking energy: -467.028 Base-Backbone interact. energy: -3.364 local terms energy: -471.406878 where: bonds (distance) C4'-P energy: -97.546 bonds (distance) P-C4' energy: -90.216 flat angles C4'-P-C4' energy: -105.593 flat angles P-C4'-P energy: -58.569 tors. eta vs tors. theta energy: -119.484 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: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1616.807846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.807846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.807846 (E_RNA) where: Base-Base interactions energy: -1140.217 where: short stacking energy: -441.426 Base-Backbone interact. energy: -0.277 local terms energy: -476.313585 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -98.091 flat angles C4'-P-C4' energy: -110.663 flat angles P-C4'-P energy: -71.403 tors. eta vs tors. theta energy: -110.212 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: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1525.617698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.617698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.617698 (E_RNA) where: Base-Base interactions energy: -1050.475 where: short stacking energy: -474.179 Base-Backbone interact. energy: -1.793 local terms energy: -473.349855 where: bonds (distance) C4'-P energy: -93.588 bonds (distance) P-C4' energy: -93.826 flat angles C4'-P-C4' energy: -102.007 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -137.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1445.952380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.952380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.952380 (E_RNA) where: Base-Base interactions energy: -1014.874 where: short stacking energy: -429.848 Base-Backbone interact. energy: 1.294 local terms energy: -432.372134 where: bonds (distance) C4'-P energy: -76.544 bonds (distance) P-C4' energy: -90.658 flat angles C4'-P-C4' energy: -102.498 flat angles P-C4'-P energy: -63.164 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: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1337.419206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.419206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.419206 (E_RNA) where: Base-Base interactions energy: -923.795 where: short stacking energy: -362.893 Base-Backbone interact. energy: -2.999 local terms energy: -410.624687 where: bonds (distance) C4'-P energy: -74.305 bonds (distance) P-C4' energy: -89.517 flat angles C4'-P-C4' energy: -103.629 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -85.524 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: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1212.528015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.528015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.528015 (E_RNA) where: Base-Base interactions energy: -807.314 where: short stacking energy: -356.864 Base-Backbone interact. energy: -2.177 local terms energy: -403.037813 where: bonds (distance) C4'-P energy: -78.566 bonds (distance) P-C4' energy: -83.722 flat angles C4'-P-C4' energy: -92.654 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -87.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1171.142628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.142628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.142628 (E_RNA) where: Base-Base interactions energy: -779.651 where: short stacking energy: -347.698 Base-Backbone interact. energy: -4.381 local terms energy: -387.111172 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -59.681 tors. eta vs tors. theta energy: -88.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1026.229615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.229615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.229615 (E_RNA) where: Base-Base interactions energy: -673.341 where: short stacking energy: -301.778 Base-Backbone interact. energy: 0.620 local terms energy: -353.508749 where: bonds (distance) C4'-P energy: -74.194 bonds (distance) P-C4' energy: -89.748 flat angles C4'-P-C4' energy: -77.350 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -66.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -856.585819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.585819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.585819 (E_RNA) where: Base-Base interactions energy: -550.771 where: short stacking energy: -233.257 Base-Backbone interact. energy: 0.353 local terms energy: -306.167786 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -85.337 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -30.822 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: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -473.099870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.099870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.099870 (E_RNA) where: Base-Base interactions energy: -241.246 where: short stacking energy: -155.102 Base-Backbone interact. energy: 2.158 local terms energy: -234.011925 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -74.589 flat angles C4'-P-C4' energy: -65.750 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: 5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1638.045735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.045735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.045735 (E_RNA) where: Base-Base interactions energy: -1139.661 where: short stacking energy: -470.948 Base-Backbone interact. energy: -4.286 local terms energy: -494.098338 where: bonds (distance) C4'-P energy: -98.755 bonds (distance) P-C4' energy: -97.485 flat angles C4'-P-C4' energy: -107.098 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -121.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1633.250234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.250234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.250234 (E_RNA) where: Base-Base interactions energy: -1163.183 where: short stacking energy: -470.071 Base-Backbone interact. energy: 3.241 local terms energy: -473.308311 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -95.808 flat angles C4'-P-C4' energy: -102.637 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -122.270 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: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1535.773007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.773007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.773007 (E_RNA) where: Base-Base interactions energy: -1054.852 where: short stacking energy: -485.346 Base-Backbone interact. energy: -0.332 local terms energy: -480.588828 where: bonds (distance) C4'-P energy: -90.386 bonds (distance) P-C4' energy: -80.203 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -65.157 tors. eta vs tors. theta energy: -142.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1479.235115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.235115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.235115 (E_RNA) where: Base-Base interactions energy: -1024.244 where: short stacking energy: -423.545 Base-Backbone interact. energy: 1.272 local terms energy: -456.263101 where: bonds (distance) C4'-P energy: -91.024 bonds (distance) P-C4' energy: -91.323 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -73.841 tors. eta vs tors. theta energy: -101.744 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: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1347.384904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.384904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.384904 (E_RNA) where: Base-Base interactions energy: -897.447 where: short stacking energy: -369.870 Base-Backbone interact. energy: -0.203 local terms energy: -449.734909 where: bonds (distance) C4'-P energy: -86.563 bonds (distance) P-C4' energy: -99.160 flat angles C4'-P-C4' energy: -102.877 flat angles P-C4'-P energy: -62.677 tors. eta vs tors. theta energy: -98.457 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: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1187.086440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.086440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.086440 (E_RNA) where: Base-Base interactions energy: -801.774 where: short stacking energy: -352.747 Base-Backbone interact. energy: -2.014 local terms energy: -383.298460 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -75.994 flat angles C4'-P-C4' energy: -92.221 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -86.538 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: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1194.864678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.864678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.864678 (E_RNA) where: Base-Base interactions energy: -778.640 where: short stacking energy: -374.468 Base-Backbone interact. energy: -0.832 local terms energy: -415.392312 where: bonds (distance) C4'-P energy: -83.309 bonds (distance) P-C4' energy: -83.789 flat angles C4'-P-C4' energy: -93.316 flat angles P-C4'-P energy: -58.705 tors. eta vs tors. theta energy: -96.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1030.537285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.537285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.537285 (E_RNA) where: Base-Base interactions energy: -653.159 where: short stacking energy: -293.460 Base-Backbone interact. energy: -4.408 local terms energy: -372.970132 where: bonds (distance) C4'-P energy: -85.745 bonds (distance) P-C4' energy: -86.161 flat angles C4'-P-C4' energy: -82.141 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: -78.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -858.015240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.015240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.015240 (E_RNA) where: Base-Base interactions energy: -538.785 where: short stacking energy: -246.147 Base-Backbone interact. energy: -0.495 local terms energy: -318.735760 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -78.348 flat angles C4'-P-C4' energy: -73.336 flat angles P-C4'-P energy: -32.874 tors. eta vs tors. theta energy: -53.617 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -560.299154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.299154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.299154 (E_RNA) where: Base-Base interactions energy: -296.453 where: short stacking energy: -193.359 Base-Backbone interact. energy: 8.335 local terms energy: -272.180615 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -85.599 flat angles C4'-P-C4' energy: -62.536 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: -22.266 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: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1642.278878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.278878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.278878 (E_RNA) where: Base-Base interactions energy: -1160.651 where: short stacking energy: -456.589 Base-Backbone interact. energy: -1.627 local terms energy: -480.000448 where: bonds (distance) C4'-P energy: -102.446 bonds (distance) P-C4' energy: -79.384 flat angles C4'-P-C4' energy: -96.642 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -127.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1612.661761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.661761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.661761 (E_RNA) where: Base-Base interactions energy: -1144.857 where: short stacking energy: -441.609 Base-Backbone interact. energy: 6.713 local terms energy: -474.518463 where: bonds (distance) C4'-P energy: -96.755 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -100.023 flat angles P-C4'-P energy: -75.270 tors. eta vs tors. theta energy: -110.206 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: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1508.414891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.414891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.414891 (E_RNA) where: Base-Base interactions energy: -1057.322 where: short stacking energy: -414.950 Base-Backbone interact. energy: -4.230 local terms energy: -446.862652 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -91.715 flat angles C4'-P-C4' energy: -97.262 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -107.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1477.333524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.333524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.333524 (E_RNA) where: Base-Base interactions energy: -997.748 where: short stacking energy: -454.993 Base-Backbone interact. energy: 1.389 local terms energy: -480.975090 where: bonds (distance) C4'-P energy: -90.213 bonds (distance) P-C4' energy: -94.268 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -65.927 tors. eta vs tors. theta energy: -133.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1359.622071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.622071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.622071 (E_RNA) where: Base-Base interactions energy: -953.576 where: short stacking energy: -412.051 Base-Backbone interact. energy: -0.586 local terms energy: -405.460530 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -86.810 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: -101.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1178.914951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.914951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.914951 (E_RNA) where: Base-Base interactions energy: -803.205 where: short stacking energy: -388.024 Base-Backbone interact. energy: 0.127 local terms energy: -375.836367 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -77.296 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: -94.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1161.818978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.818978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.818978 (E_RNA) where: Base-Base interactions energy: -792.696 where: short stacking energy: -362.853 Base-Backbone interact. energy: -1.231 local terms energy: -367.891795 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -83.311 flat angles C4'-P-C4' energy: -87.589 flat angles P-C4'-P energy: -39.101 tors. eta vs tors. theta energy: -81.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1012.355734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.355734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.355734 (E_RNA) where: Base-Base interactions energy: -681.915 where: short stacking energy: -310.148 Base-Backbone interact. energy: -0.864 local terms energy: -329.575991 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -81.878 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -63.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -861.358276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.358276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.358276 (E_RNA) where: Base-Base interactions energy: -555.115 where: short stacking energy: -255.684 Base-Backbone interact. energy: -2.391 local terms energy: -303.852428 where: bonds (distance) C4'-P energy: -55.724 bonds (distance) P-C4' energy: -74.568 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -56.040 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: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -545.946121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.946121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.946121 (E_RNA) where: Base-Base interactions energy: -283.454 where: short stacking energy: -154.298 Base-Backbone interact. energy: 1.015 local terms energy: -263.507333 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -61.026 flat angles C4'-P-C4' energy: -80.227 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -6.023 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: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1621.999610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.999610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.999610 (E_RNA) where: Base-Base interactions energy: -1133.601 where: short stacking energy: -467.971 Base-Backbone interact. energy: -1.100 local terms energy: -487.298122 where: bonds (distance) C4'-P energy: -96.709 bonds (distance) P-C4' energy: -100.205 flat angles C4'-P-C4' energy: -98.846 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: -120.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1609.223461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.223461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.223461 (E_RNA) where: Base-Base interactions energy: -1156.625 where: short stacking energy: -458.086 Base-Backbone interact. energy: 3.642 local terms energy: -456.240734 where: bonds (distance) C4'-P energy: -91.347 bonds (distance) P-C4' energy: -88.722 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -105.287 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1497.251484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.251484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.251484 (E_RNA) where: Base-Base interactions energy: -1075.294 where: short stacking energy: -419.470 Base-Backbone interact. energy: -1.812 local terms energy: -420.145018 where: bonds (distance) C4'-P energy: -77.250 bonds (distance) P-C4' energy: -87.797 flat angles C4'-P-C4' energy: -106.615 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -85.656 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: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1467.965269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.965269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.965269 (E_RNA) where: Base-Base interactions energy: -1017.930 where: short stacking energy: -437.330 Base-Backbone interact. energy: -1.985 local terms energy: -448.050123 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -68.180 flat angles C4'-P-C4' energy: -109.652 flat angles P-C4'-P energy: -59.923 tors. eta vs tors. theta energy: -120.411 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: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1325.844056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.844056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.844056 (E_RNA) where: Base-Base interactions energy: -874.743 where: short stacking energy: -372.999 Base-Backbone interact. energy: -0.919 local terms energy: -450.182429 where: bonds (distance) C4'-P energy: -100.975 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -90.897 flat angles P-C4'-P energy: -64.588 tors. eta vs tors. theta energy: -89.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1172.532042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.532042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.532042 (E_RNA) where: Base-Base interactions energy: -791.933 where: short stacking energy: -348.144 Base-Backbone interact. energy: -2.034 local terms energy: -378.565317 where: bonds (distance) C4'-P energy: -65.575 bonds (distance) P-C4' energy: -89.055 flat angles C4'-P-C4' energy: -89.422 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -83.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1157.113534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.113534 (E_RNA) where: Base-Base interactions energy: -760.970 where: short stacking energy: -317.589 Base-Backbone interact. energy: 2.265 local terms energy: -398.409042 where: bonds (distance) C4'-P energy: -76.953 bonds (distance) P-C4' energy: -91.592 flat angles C4'-P-C4' energy: -84.953 flat angles P-C4'-P energy: -68.769 tors. eta vs tors. theta energy: -76.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1000.999990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.999990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.999990 (E_RNA) where: Base-Base interactions energy: -658.921 where: short stacking energy: -280.066 Base-Backbone interact. energy: 1.851 local terms energy: -343.929982 where: bonds (distance) C4'-P energy: -75.109 bonds (distance) P-C4' energy: -79.055 flat angles C4'-P-C4' energy: -75.641 flat angles P-C4'-P energy: -60.504 tors. eta vs tors. theta energy: -53.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -885.619839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.619839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.619839 (E_RNA) where: Base-Base interactions energy: -547.960 where: short stacking energy: -257.400 Base-Backbone interact. energy: 2.512 local terms energy: -340.172459 where: bonds (distance) C4'-P energy: -71.028 bonds (distance) P-C4' energy: -69.551 flat angles C4'-P-C4' energy: -84.297 flat angles P-C4'-P energy: -57.108 tors. eta vs tors. theta energy: -58.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -509.145406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.145406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.145406 (E_RNA) where: Base-Base interactions energy: -257.092 where: short stacking energy: -145.722 Base-Backbone interact. energy: -1.408 local terms energy: -250.645628 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -67.092 flat angles P-C4'-P energy: -31.138 tors. eta vs tors. theta energy: -0.009 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: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1630.895090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.895090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.895090 (E_RNA) where: Base-Base interactions energy: -1146.629 where: short stacking energy: -469.548 Base-Backbone interact. energy: -2.926 local terms energy: -481.340320 where: bonds (distance) C4'-P energy: -92.112 bonds (distance) P-C4' energy: -96.175 flat angles C4'-P-C4' energy: -114.666 flat angles P-C4'-P energy: -60.503 tors. eta vs tors. theta energy: -117.883 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: 156 Temperature: 0.950000 Total energy: -1589.864431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.864431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.864431 (E_RNA) where: Base-Base interactions energy: -1105.994 where: short stacking energy: -433.453 Base-Backbone interact. energy: 3.789 local terms energy: -487.659824 where: bonds (distance) C4'-P energy: -96.904 bonds (distance) P-C4' energy: -96.434 flat angles C4'-P-C4' energy: -107.626 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -118.039 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: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1508.257089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.257089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.257089 (E_RNA) where: Base-Base interactions energy: -1059.683 where: short stacking energy: -414.961 Base-Backbone interact. energy: -0.144 local terms energy: -448.430046 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -100.107 flat angles C4'-P-C4' energy: -91.057 flat angles P-C4'-P energy: -61.277 tors. eta vs tors. theta energy: -104.458 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: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1411.712076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.712076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.712076 (E_RNA) where: Base-Base interactions energy: -958.075 where: short stacking energy: -425.300 Base-Backbone interact. energy: -0.238 local terms energy: -453.398666 where: bonds (distance) C4'-P energy: -82.321 bonds (distance) P-C4' energy: -91.848 flat angles C4'-P-C4' energy: -97.117 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -114.293 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: 156 Temperature: 1.100000 Total energy: -1324.274772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.274772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.274772 (E_RNA) where: Base-Base interactions energy: -912.384 where: short stacking energy: -387.216 Base-Backbone interact. energy: -2.549 local terms energy: -409.341304 where: bonds (distance) C4'-P energy: -79.650 bonds (distance) P-C4' energy: -69.453 flat angles C4'-P-C4' energy: -89.405 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -102.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1173.446355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.446355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.446355 (E_RNA) where: Base-Base interactions energy: -781.361 where: short stacking energy: -342.388 Base-Backbone interact. energy: -1.301 local terms energy: -390.784401 where: bonds (distance) C4'-P energy: -82.137 bonds (distance) P-C4' energy: -91.330 flat angles C4'-P-C4' energy: -86.691 flat angles P-C4'-P energy: -56.984 tors. eta vs tors. theta energy: -73.642 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1080.123405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.123405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.123405 (E_RNA) where: Base-Base interactions energy: -699.300 where: short stacking energy: -305.343 Base-Backbone interact. energy: -0.049 local terms energy: -380.774967 where: bonds (distance) C4'-P energy: -81.578 bonds (distance) P-C4' energy: -85.590 flat angles C4'-P-C4' energy: -91.580 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: -72.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1074.971074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.971074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.971074 (E_RNA) where: Base-Base interactions energy: -703.372 where: short stacking energy: -330.143 Base-Backbone interact. energy: -0.599 local terms energy: -371.000879 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -82.584 flat angles P-C4'-P energy: -47.028 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: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -878.687883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.687883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.687883 (E_RNA) where: Base-Base interactions energy: -562.069 where: short stacking energy: -262.647 Base-Backbone interact. energy: -0.604 local terms energy: -316.015584 where: bonds (distance) C4'-P energy: -74.655 bonds (distance) P-C4' energy: -63.613 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -34.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -528.600194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.600194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.600194 (E_RNA) where: Base-Base interactions energy: -280.329 where: short stacking energy: -183.366 Base-Backbone interact. energy: 4.130 local terms energy: -252.401680 where: bonds (distance) C4'-P energy: -65.934 bonds (distance) P-C4' energy: -67.981 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -40.807 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1620.308310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.308310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.308310 (E_RNA) where: Base-Base interactions energy: -1137.555 where: short stacking energy: -458.587 Base-Backbone interact. energy: -1.319 local terms energy: -481.434277 where: bonds (distance) C4'-P energy: -87.517 bonds (distance) P-C4' energy: -95.581 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -73.586 tors. eta vs tors. theta energy: -114.797 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: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1595.184043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.184043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.184043 (E_RNA) where: Base-Base interactions energy: -1142.680 where: short stacking energy: -463.964 Base-Backbone interact. energy: 5.227 local terms energy: -457.730886 where: bonds (distance) C4'-P energy: -71.725 bonds (distance) P-C4' energy: -86.856 flat angles C4'-P-C4' energy: -110.817 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -120.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1517.396356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.396356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.396356 (E_RNA) where: Base-Base interactions energy: -1070.564 where: short stacking energy: -438.849 Base-Backbone interact. energy: -6.115 local terms energy: -440.717073 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -93.435 flat angles C4'-P-C4' energy: -89.856 flat angles P-C4'-P energy: -71.575 tors. eta vs tors. theta energy: -109.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1429.201090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.201090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.201090 (E_RNA) where: Base-Base interactions energy: -974.409 where: short stacking energy: -422.595 Base-Backbone interact. energy: -2.753 local terms energy: -452.038650 where: bonds (distance) C4'-P energy: -84.609 bonds (distance) P-C4' energy: -97.364 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -114.244 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: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1344.542198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.542198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.542198 (E_RNA) where: Base-Base interactions energy: -934.903 where: short stacking energy: -399.902 Base-Backbone interact. energy: 1.964 local terms energy: -411.602728 where: bonds (distance) C4'-P energy: -92.455 bonds (distance) P-C4' energy: -74.462 flat angles C4'-P-C4' energy: -88.889 flat angles P-C4'-P energy: -61.544 tors. eta vs tors. theta energy: -94.253 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: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1176.370453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.370453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.370453 (E_RNA) where: Base-Base interactions energy: -786.689 where: short stacking energy: -373.913 Base-Backbone interact. energy: -2.678 local terms energy: -387.003833 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -88.739 flat angles C4'-P-C4' energy: -77.988 flat angles P-C4'-P energy: -52.902 tors. eta vs tors. theta energy: -85.264 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: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1182.649533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.649533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.649533 (E_RNA) where: Base-Base interactions energy: -787.148 where: short stacking energy: -348.405 Base-Backbone interact. energy: -1.787 local terms energy: -393.714989 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -90.549 flat angles C4'-P-C4' energy: -87.685 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -88.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1077.702641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.702641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.702641 (E_RNA) where: Base-Base interactions energy: -693.535 where: short stacking energy: -322.481 Base-Backbone interact. energy: -2.096 local terms energy: -382.072241 where: bonds (distance) C4'-P energy: -84.572 bonds (distance) P-C4' energy: -76.848 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -81.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -855.307878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.307878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.307878 (E_RNA) where: Base-Base interactions energy: -538.719 where: short stacking energy: -240.588 Base-Backbone interact. energy: -3.273 local terms energy: -313.315932 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -74.983 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -32.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -539.396543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.396543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.396543 (E_RNA) where: Base-Base interactions energy: -278.084 where: short stacking energy: -175.238 Base-Backbone interact. energy: -1.786 local terms energy: -259.526740 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -72.621 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -24.897 tors. eta vs tors. theta energy: -11.691 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: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1645.737028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.737028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.737028 (E_RNA) where: Base-Base interactions energy: -1164.927 where: short stacking energy: -468.077 Base-Backbone interact. energy: -3.270 local terms energy: -477.540395 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -92.053 flat angles C4'-P-C4' energy: -117.433 flat angles P-C4'-P energy: -60.322 tors. eta vs tors. theta energy: -121.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1603.626837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.626837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.626837 (E_RNA) where: Base-Base interactions energy: -1133.742 where: short stacking energy: -443.092 Base-Backbone interact. energy: 9.811 local terms energy: -479.695640 where: bonds (distance) C4'-P energy: -91.410 bonds (distance) P-C4' energy: -98.786 flat angles C4'-P-C4' energy: -98.309 flat angles P-C4'-P energy: -70.426 tors. eta vs tors. theta energy: -120.764 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: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1540.727657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.727657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.727657 (E_RNA) where: Base-Base interactions energy: -1077.867 where: short stacking energy: -429.720 Base-Backbone interact. energy: -0.305 local terms energy: -462.555991 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -93.082 flat angles C4'-P-C4' energy: -110.069 flat angles P-C4'-P energy: -68.841 tors. eta vs tors. theta energy: -102.124 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: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1458.287956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.287956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.287956 (E_RNA) where: Base-Base interactions energy: -1010.391 where: short stacking energy: -440.504 Base-Backbone interact. energy: -1.542 local terms energy: -446.355459 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -60.865 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: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1334.850017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.850017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.850017 (E_RNA) where: Base-Base interactions energy: -891.134 where: short stacking energy: -390.865 Base-Backbone interact. energy: -2.375 local terms energy: -441.340995 where: bonds (distance) C4'-P energy: -84.497 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -97.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1178.644693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.644693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.644693 (E_RNA) where: Base-Base interactions energy: -756.742 where: short stacking energy: -375.419 Base-Backbone interact. energy: -0.439 local terms energy: -421.462952 where: bonds (distance) C4'-P energy: -80.891 bonds (distance) P-C4' energy: -88.147 flat angles C4'-P-C4' energy: -87.584 flat angles P-C4'-P energy: -69.002 tors. eta vs tors. theta energy: -95.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1110.173748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.173748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.173748 (E_RNA) where: Base-Base interactions energy: -755.742 where: short stacking energy: -348.405 Base-Backbone interact. energy: -0.402 local terms energy: -354.029617 where: bonds (distance) C4'-P energy: -78.581 bonds (distance) P-C4' energy: -78.902 flat angles C4'-P-C4' energy: -77.925 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -67.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1094.204472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.204472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.204472 (E_RNA) where: Base-Base interactions energy: -722.567 where: short stacking energy: -330.599 Base-Backbone interact. energy: -0.186 local terms energy: -371.451112 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -81.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -867.858418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.858418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.858418 (E_RNA) where: Base-Base interactions energy: -552.963 where: short stacking energy: -242.882 Base-Backbone interact. energy: -2.646 local terms energy: -312.249143 where: bonds (distance) C4'-P energy: -77.606 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -87.166 flat angles P-C4'-P energy: -27.540 tors. eta vs tors. theta energy: -34.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -644.996185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.996185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.996185 (E_RNA) where: Base-Base interactions energy: -360.317 where: short stacking energy: -192.863 Base-Backbone interact. energy: -0.482 local terms energy: -284.196990 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -38.826 tors. eta vs tors. theta energy: -27.230 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: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1641.779805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.779805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.779805 (E_RNA) where: Base-Base interactions energy: -1146.685 where: short stacking energy: -482.927 Base-Backbone interact. energy: -1.898 local terms energy: -493.196960 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -103.794 flat angles C4'-P-C4' energy: -103.668 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -126.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1601.529908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.529908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.529908 (E_RNA) where: Base-Base interactions energy: -1143.678 where: short stacking energy: -473.845 Base-Backbone interact. energy: 2.778 local terms energy: -460.629855 where: bonds (distance) C4'-P energy: -87.521 bonds (distance) P-C4' energy: -96.053 flat angles C4'-P-C4' energy: -92.795 flat angles P-C4'-P energy: -62.558 tors. eta vs tors. theta energy: -121.704 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: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1546.290725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.290725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.290725 (E_RNA) where: Base-Base interactions energy: -1095.675 where: short stacking energy: -433.412 Base-Backbone interact. energy: 3.954 local terms energy: -454.569415 where: bonds (distance) C4'-P energy: -88.059 bonds (distance) P-C4' energy: -83.449 flat angles C4'-P-C4' energy: -95.474 flat angles P-C4'-P energy: -75.895 tors. eta vs tors. theta energy: -111.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1474.650261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.650261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.650261 (E_RNA) where: Base-Base interactions energy: -1021.757 where: short stacking energy: -444.992 Base-Backbone interact. energy: -0.767 local terms energy: -452.126302 where: bonds (distance) C4'-P energy: -75.954 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -97.211 flat angles P-C4'-P energy: -56.074 tors. eta vs tors. theta energy: -130.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1336.094678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.094678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.094678 (E_RNA) where: Base-Base interactions energy: -899.501 where: short stacking energy: -413.262 Base-Backbone interact. energy: -2.515 local terms energy: -434.078358 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -87.857 flat angles C4'-P-C4' energy: -101.303 flat angles P-C4'-P energy: -66.917 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: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1186.247708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.247708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.247708 (E_RNA) where: Base-Base interactions energy: -787.139 where: short stacking energy: -339.363 Base-Backbone interact. energy: -2.557 local terms energy: -396.551601 where: bonds (distance) C4'-P energy: -82.512 bonds (distance) P-C4' energy: -89.748 flat angles C4'-P-C4' energy: -94.435 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -83.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1119.090078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.090078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.090078 (E_RNA) where: Base-Base interactions energy: -766.036 where: short stacking energy: -338.146 Base-Backbone interact. energy: -3.131 local terms energy: -349.923272 where: bonds (distance) C4'-P energy: -71.237 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -92.073 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -62.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1092.767566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.767566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.767566 (E_RNA) where: Base-Base interactions energy: -761.029 where: short stacking energy: -322.455 Base-Backbone interact. energy: -1.302 local terms energy: -330.436655 where: bonds (distance) C4'-P energy: -71.225 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -79.442 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -70.974 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: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -859.335175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.335175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.335175 (E_RNA) where: Base-Base interactions energy: -542.633 where: short stacking energy: -244.975 Base-Backbone interact. energy: -1.403 local terms energy: -315.299095 where: bonds (distance) C4'-P energy: -75.608 bonds (distance) P-C4' energy: -80.547 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -53.615 tors. eta vs tors. theta energy: -35.127 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: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -652.141136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.141136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.141136 (E_RNA) where: Base-Base interactions energy: -367.713 where: short stacking energy: -173.991 Base-Backbone interact. energy: -1.377 local terms energy: -283.051907 where: bonds (distance) C4'-P energy: -69.204 bonds (distance) P-C4' energy: -87.736 flat angles C4'-P-C4' energy: -75.488 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -8.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1620.953939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.953939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.953939 (E_RNA) where: Base-Base interactions energy: -1140.526 where: short stacking energy: -456.260 Base-Backbone interact. energy: -3.886 local terms energy: -476.541718 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -96.684 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -123.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1612.248782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.248782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.248782 (E_RNA) where: Base-Base interactions energy: -1116.388 where: short stacking energy: -426.084 Base-Backbone interact. energy: -1.385 local terms energy: -494.475491 where: bonds (distance) C4'-P energy: -94.896 bonds (distance) P-C4' energy: -107.042 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -60.036 tors. eta vs tors. theta energy: -121.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1556.014108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.014108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.014108 (E_RNA) where: Base-Base interactions energy: -1083.952 where: short stacking energy: -442.263 Base-Backbone interact. energy: -2.698 local terms energy: -469.364188 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -93.089 flat angles C4'-P-C4' energy: -98.087 flat angles P-C4'-P energy: -74.348 tors. eta vs tors. theta energy: -115.800 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: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1489.357394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.357394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.357394 (E_RNA) where: Base-Base interactions energy: -1026.898 where: short stacking energy: -420.666 Base-Backbone interact. energy: 0.539 local terms energy: -462.998139 where: bonds (distance) C4'-P energy: -83.061 bonds (distance) P-C4' energy: -86.692 flat angles C4'-P-C4' energy: -103.192 flat angles P-C4'-P energy: -72.021 tors. eta vs tors. theta energy: -118.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1305.894488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.894488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.894488 (E_RNA) where: Base-Base interactions energy: -891.270 where: short stacking energy: -358.490 Base-Backbone interact. energy: 2.945 local terms energy: -417.569190 where: bonds (distance) C4'-P energy: -80.247 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -98.316 flat angles P-C4'-P energy: -60.017 tors. eta vs tors. theta energy: -86.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1190.214536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.214536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.214536 (E_RNA) where: Base-Base interactions energy: -792.044 where: short stacking energy: -355.063 Base-Backbone interact. energy: 0.765 local terms energy: -398.935258 where: bonds (distance) C4'-P energy: -84.886 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -84.414 flat angles P-C4'-P energy: -53.734 tors. eta vs tors. theta energy: -89.841 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: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1209.787083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.787083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.787083 (E_RNA) where: Base-Base interactions energy: -859.613 where: short stacking energy: -386.244 Base-Backbone interact. energy: 1.025 local terms energy: -351.199101 where: bonds (distance) C4'-P energy: -70.068 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -89.741 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -83.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1060.370487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.370487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.370487 (E_RNA) where: Base-Base interactions energy: -698.566 where: short stacking energy: -298.881 Base-Backbone interact. energy: -0.425 local terms energy: -361.379494 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -96.129 flat angles C4'-P-C4' energy: -73.944 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -68.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -889.661372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.661372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.661372 (E_RNA) where: Base-Base interactions energy: -574.128 where: short stacking energy: -283.414 Base-Backbone interact. energy: 2.303 local terms energy: -317.835939 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -74.854 flat angles C4'-P-C4' energy: -86.778 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: -51.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -656.975213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.975213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.975213 (E_RNA) where: Base-Base interactions energy: -369.558 where: short stacking energy: -179.729 Base-Backbone interact. energy: -0.257 local terms energy: -287.160640 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -89.244 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -46.232 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1624.442765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.442765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.442765 (E_RNA) where: Base-Base interactions energy: -1159.096 where: short stacking energy: -482.812 Base-Backbone interact. energy: -2.371 local terms energy: -462.976652 where: bonds (distance) C4'-P energy: -80.119 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -101.528 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -123.198 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: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1625.360884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.360884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.360884 (E_RNA) where: Base-Base interactions energy: -1119.419 where: short stacking energy: -440.105 Base-Backbone interact. energy: -3.342 local terms energy: -502.600374 where: bonds (distance) C4'-P energy: -95.106 bonds (distance) P-C4' energy: -98.612 flat angles C4'-P-C4' energy: -106.569 flat angles P-C4'-P energy: -76.346 tors. eta vs tors. theta energy: -125.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1559.759745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.759745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.759745 (E_RNA) where: Base-Base interactions energy: -1108.395 where: short stacking energy: -461.896 Base-Backbone interact. energy: -2.667 local terms energy: -448.696888 where: bonds (distance) C4'-P energy: -89.834 bonds (distance) P-C4' energy: -84.926 flat angles C4'-P-C4' energy: -102.029 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -101.462 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: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1448.197126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.197126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.197126 (E_RNA) where: Base-Base interactions energy: -1002.947 where: short stacking energy: -443.462 Base-Backbone interact. energy: 2.081 local terms energy: -447.331495 where: bonds (distance) C4'-P energy: -87.859 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -55.930 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: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1329.807568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.807568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.807568 (E_RNA) where: Base-Base interactions energy: -923.315 where: short stacking energy: -379.114 Base-Backbone interact. energy: -1.094 local terms energy: -405.399188 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -92.003 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -45.091 tors. eta vs tors. theta energy: -87.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1250.576419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.576419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.576419 (E_RNA) where: Base-Base interactions energy: -827.119 where: short stacking energy: -376.374 Base-Backbone interact. energy: 2.520 local terms energy: -425.977930 where: bonds (distance) C4'-P energy: -74.555 bonds (distance) P-C4' energy: -90.398 flat angles C4'-P-C4' energy: -94.895 flat angles P-C4'-P energy: -70.966 tors. eta vs tors. theta energy: -95.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1177.537615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.537615 (E_RNA) where: Base-Base interactions energy: -808.939 where: short stacking energy: -356.342 Base-Backbone interact. energy: 0.226 local terms energy: -368.825249 where: bonds (distance) C4'-P energy: -69.127 bonds (distance) P-C4' energy: -90.106 flat angles C4'-P-C4' energy: -78.968 flat angles P-C4'-P energy: -53.595 tors. eta vs tors. theta energy: -77.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -987.596887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.596887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.596887 (E_RNA) where: Base-Base interactions energy: -637.685 where: short stacking energy: -277.308 Base-Backbone interact. energy: -1.458 local terms energy: -348.453827 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -73.430 flat angles C4'-P-C4' energy: -85.618 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -56.045 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: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -905.938221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.938221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.938221 (E_RNA) where: Base-Base interactions energy: -563.860 where: short stacking energy: -247.533 Base-Backbone interact. energy: -0.617 local terms energy: -341.461042 where: bonds (distance) C4'-P energy: -82.471 bonds (distance) P-C4' energy: -63.965 flat angles C4'-P-C4' energy: -86.273 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -55.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -699.272723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.272723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.272723 (E_RNA) where: Base-Base interactions energy: -402.109 where: short stacking energy: -188.192 Base-Backbone interact. energy: 2.453 local terms energy: -299.616437 where: bonds (distance) C4'-P energy: -76.728 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -44.258 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1619.824736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.824736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.824736 (E_RNA) where: Base-Base interactions energy: -1154.073 where: short stacking energy: -455.309 Base-Backbone interact. energy: 6.752 local terms energy: -472.503298 where: bonds (distance) C4'-P energy: -82.512 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -104.297 flat angles P-C4'-P energy: -75.178 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: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1584.624492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.624492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.624492 (E_RNA) where: Base-Base interactions energy: -1119.021 where: short stacking energy: -465.267 Base-Backbone interact. energy: -1.465 local terms energy: -464.138542 where: bonds (distance) C4'-P energy: -89.293 bonds (distance) P-C4' energy: -92.007 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -116.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1560.805836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.805836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.805836 (E_RNA) where: Base-Base interactions energy: -1103.672 where: short stacking energy: -447.802 Base-Backbone interact. energy: -2.017 local terms energy: -455.117193 where: bonds (distance) C4'-P energy: -84.051 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -107.731 flat angles P-C4'-P energy: -80.465 tors. eta vs tors. theta energy: -101.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1399.874914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.874914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.874914 (E_RNA) where: Base-Base interactions energy: -945.155 where: short stacking energy: -423.191 Base-Backbone interact. energy: -2.184 local terms energy: -452.535652 where: bonds (distance) C4'-P energy: -86.107 bonds (distance) P-C4' energy: -102.636 flat angles C4'-P-C4' energy: -89.142 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -111.499 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: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1364.998213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.998213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.998213 (E_RNA) where: Base-Base interactions energy: -942.310 where: short stacking energy: -408.042 Base-Backbone interact. energy: -1.550 local terms energy: -421.138572 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -100.187 flat angles P-C4'-P energy: -62.334 tors. eta vs tors. theta energy: -100.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1261.442754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.442754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.442754 (E_RNA) where: Base-Base interactions energy: -827.662 where: short stacking energy: -376.222 Base-Backbone interact. energy: -1.180 local terms energy: -432.601459 where: bonds (distance) C4'-P energy: -87.864 bonds (distance) P-C4' energy: -90.899 flat angles C4'-P-C4' energy: -95.787 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -96.094 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: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1174.368294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.368294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.368294 (E_RNA) where: Base-Base interactions energy: -794.496 where: short stacking energy: -344.314 Base-Backbone interact. energy: -4.075 local terms energy: -375.797709 where: bonds (distance) C4'-P energy: -70.990 bonds (distance) P-C4' energy: -85.629 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -50.412 tors. eta vs tors. theta energy: -79.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1093.466395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.466395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.466395 (E_RNA) where: Base-Base interactions energy: -718.628 where: short stacking energy: -309.218 Base-Backbone interact. energy: -1.527 local terms energy: -373.310910 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -78.494 flat angles C4'-P-C4' energy: -92.881 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -79.277 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: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -927.131826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.131826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.131826 (E_RNA) where: Base-Base interactions energy: -580.405 where: short stacking energy: -262.487 Base-Backbone interact. energy: -2.900 local terms energy: -343.826744 where: bonds (distance) C4'-P energy: -83.967 bonds (distance) P-C4' energy: -87.896 flat angles C4'-P-C4' energy: -84.011 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -48.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -700.877772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.877772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.877772 (E_RNA) where: Base-Base interactions energy: -406.423 where: short stacking energy: -189.363 Base-Backbone interact. energy: 0.249 local terms energy: -294.703812 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -84.033 flat angles C4'-P-C4' energy: -60.278 flat angles P-C4'-P energy: -38.311 tors. eta vs tors. theta energy: -29.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1619.840868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.840868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.840868 (E_RNA) where: Base-Base interactions energy: -1163.742 where: short stacking energy: -444.778 Base-Backbone interact. energy: 0.416 local terms energy: -456.514861 where: bonds (distance) C4'-P energy: -89.413 bonds (distance) P-C4' energy: -91.665 flat angles C4'-P-C4' energy: -97.768 flat angles P-C4'-P energy: -64.188 tors. eta vs tors. theta energy: -113.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1572.075971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.075971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.075971 (E_RNA) where: Base-Base interactions energy: -1090.542 where: short stacking energy: -458.877 Base-Backbone interact. energy: -2.513 local terms energy: -479.021287 where: bonds (distance) C4'-P energy: -89.639 bonds (distance) P-C4' energy: -88.777 flat angles C4'-P-C4' energy: -108.943 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: -121.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1582.373937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.373937 (E_RNA) where: Base-Base interactions energy: -1118.634 where: short stacking energy: -448.214 Base-Backbone interact. energy: -1.086 local terms energy: -462.653205 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -96.219 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -68.292 tors. eta vs tors. theta energy: -109.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1389.453223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.453223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.453223 (E_RNA) where: Base-Base interactions energy: -960.539 where: short stacking energy: -418.560 Base-Backbone interact. energy: 2.630 local terms energy: -431.543768 where: bonds (distance) C4'-P energy: -80.157 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -96.103 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -110.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1379.850589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.850589 (E_RNA) where: Base-Base interactions energy: -947.556 where: short stacking energy: -408.863 Base-Backbone interact. energy: -1.376 local terms energy: -430.919317 where: bonds (distance) C4'-P energy: -72.210 bonds (distance) P-C4' energy: -83.518 flat angles C4'-P-C4' energy: -103.648 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -112.975 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: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1295.230205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.230205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.230205 (E_RNA) where: Base-Base interactions energy: -870.991 where: short stacking energy: -389.943 Base-Backbone interact. energy: 2.862 local terms energy: -427.101219 where: bonds (distance) C4'-P energy: -81.269 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -90.155 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -108.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1175.216816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.216816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.216816 (E_RNA) where: Base-Base interactions energy: -791.358 where: short stacking energy: -335.952 Base-Backbone interact. energy: 0.006 local terms energy: -383.865258 where: bonds (distance) C4'-P energy: -85.979 bonds (distance) P-C4' energy: -90.962 flat angles C4'-P-C4' energy: -84.158 flat angles P-C4'-P energy: -45.013 tors. eta vs tors. theta energy: -77.752 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: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1111.764204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.764204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.764204 (E_RNA) where: Base-Base interactions energy: -740.841 where: short stacking energy: -347.981 Base-Backbone interact. energy: -0.568 local terms energy: -370.355662 where: bonds (distance) C4'-P energy: -71.861 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -73.921 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -79.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -957.996227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.996227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.996227 (E_RNA) where: Base-Base interactions energy: -609.887 where: short stacking energy: -285.994 Base-Backbone interact. energy: -2.125 local terms energy: -345.983567 where: bonds (distance) C4'-P energy: -72.976 bonds (distance) P-C4' energy: -78.534 flat angles C4'-P-C4' energy: -84.333 flat angles P-C4'-P energy: -53.863 tors. eta vs tors. theta energy: -56.278 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: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -798.317420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.317420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.317420 (E_RNA) where: Base-Base interactions energy: -487.140 where: short stacking energy: -236.248 Base-Backbone interact. energy: -1.364 local terms energy: -309.812826 where: bonds (distance) C4'-P energy: -81.053 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -75.973 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -25.503 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: 4 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1660.540210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.540210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.540210 (E_RNA) where: Base-Base interactions energy: -1180.440 where: short stacking energy: -468.243 Base-Backbone interact. energy: 3.570 local terms energy: -483.670375 where: bonds (distance) C4'-P energy: -96.493 bonds (distance) P-C4' energy: -88.274 flat angles C4'-P-C4' energy: -101.188 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: -124.024 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: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1591.723311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.723311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.723311 (E_RNA) where: Base-Base interactions energy: -1105.128 where: short stacking energy: -469.632 Base-Backbone interact. energy: -3.470 local terms energy: -483.125004 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -103.710 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -123.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1593.785357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.785357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.785357 (E_RNA) where: Base-Base interactions energy: -1128.354 where: short stacking energy: -447.927 Base-Backbone interact. energy: -3.016 local terms energy: -462.415824 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -80.196 flat angles C4'-P-C4' energy: -104.654 flat angles P-C4'-P energy: -71.247 tors. eta vs tors. theta energy: -112.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1416.631052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.631052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.631052 (E_RNA) where: Base-Base interactions energy: -973.741 where: short stacking energy: -411.805 Base-Backbone interact. energy: -0.305 local terms energy: -442.584445 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -92.395 flat angles P-C4'-P energy: -58.481 tors. eta vs tors. theta energy: -108.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1358.886553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.886553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.886553 (E_RNA) where: Base-Base interactions energy: -932.908 where: short stacking energy: -401.766 Base-Backbone interact. energy: -4.117 local terms energy: -421.860967 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -79.106 flat angles C4'-P-C4' energy: -93.244 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -111.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1274.372185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.372185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.372185 (E_RNA) where: Base-Base interactions energy: -836.581 where: short stacking energy: -377.272 Base-Backbone interact. energy: -1.438 local terms energy: -436.353209 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -80.988 flat angles C4'-P-C4' energy: -103.562 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -96.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1222.469727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.469727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.469727 (E_RNA) where: Base-Base interactions energy: -831.092 where: short stacking energy: -378.908 Base-Backbone interact. energy: -1.351 local terms energy: -390.026817 where: bonds (distance) C4'-P energy: -75.221 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -93.580 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -96.445 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1085.014915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.014915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.014915 (E_RNA) where: Base-Base interactions energy: -709.320 where: short stacking energy: -331.419 Base-Backbone interact. energy: 0.525 local terms energy: -376.220058 where: bonds (distance) C4'-P energy: -79.303 bonds (distance) P-C4' energy: -70.663 flat angles C4'-P-C4' energy: -85.657 flat angles P-C4'-P energy: -59.983 tors. eta vs tors. theta energy: -80.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -916.227763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.227763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.227763 (E_RNA) where: Base-Base interactions energy: -581.346 where: short stacking energy: -260.450 Base-Backbone interact. energy: 0.494 local terms energy: -335.375760 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -87.791 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -45.354 tors. eta vs tors. theta energy: -62.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -813.446005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.446005 (E_RNA) where: Base-Base interactions energy: -497.530 where: short stacking energy: -244.445 Base-Backbone interact. energy: -2.785 local terms energy: -313.131100 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -75.120 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -49.173 tors. eta vs tors. theta energy: -47.441 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: 4 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1655.227855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.227855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.227855 (E_RNA) where: Base-Base interactions energy: -1162.658 where: short stacking energy: -459.276 Base-Backbone interact. energy: 0.859 local terms energy: -493.428906 where: bonds (distance) C4'-P energy: -104.571 bonds (distance) P-C4' energy: -93.647 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -66.359 tors. eta vs tors. theta energy: -113.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1575.928349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.928349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.928349 (E_RNA) where: Base-Base interactions energy: -1109.629 where: short stacking energy: -458.638 Base-Backbone interact. energy: -1.161 local terms energy: -465.138848 where: bonds (distance) C4'-P energy: -98.598 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -96.650 flat angles P-C4'-P energy: -67.776 tors. eta vs tors. theta energy: -113.940 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: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1568.439866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.439866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.439866 (E_RNA) where: Base-Base interactions energy: -1112.515 where: short stacking energy: -436.378 Base-Backbone interact. energy: -2.077 local terms energy: -453.847824 where: bonds (distance) C4'-P energy: -70.903 bonds (distance) P-C4' energy: -105.173 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -73.125 tors. eta vs tors. theta energy: -107.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1446.503670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.503670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.503670 (E_RNA) where: Base-Base interactions energy: -980.506 where: short stacking energy: -413.996 Base-Backbone interact. energy: -4.188 local terms energy: -461.810007 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -97.959 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -62.975 tors. eta vs tors. theta energy: -111.797 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: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1364.783217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.783217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.783217 (E_RNA) where: Base-Base interactions energy: -931.001 where: short stacking energy: -383.794 Base-Backbone interact. energy: -2.632 local terms energy: -431.150396 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -85.161 flat angles P-C4'-P energy: -64.247 tors. eta vs tors. theta energy: -87.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1265.393524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.393524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.393524 (E_RNA) where: Base-Base interactions energy: -857.276 where: short stacking energy: -401.729 Base-Backbone interact. energy: 0.127 local terms energy: -408.244669 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -82.605 flat angles C4'-P-C4' energy: -91.809 flat angles P-C4'-P energy: -53.862 tors. eta vs tors. theta energy: -107.754 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: 165 Temperature: 1.200000 Total energy: -1226.703728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.703728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.703728 (E_RNA) where: Base-Base interactions energy: -821.847 where: short stacking energy: -367.429 Base-Backbone interact. energy: -1.407 local terms energy: -403.449527 where: bonds (distance) C4'-P energy: -74.598 bonds (distance) P-C4' energy: -96.208 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -51.996 tors. eta vs tors. theta energy: -85.255 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: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1042.907838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.907838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.907838 (E_RNA) where: Base-Base interactions energy: -709.757 where: short stacking energy: -309.587 Base-Backbone interact. energy: 0.723 local terms energy: -333.874104 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -70.901 flat angles C4'-P-C4' energy: -70.002 flat angles P-C4'-P energy: -51.157 tors. eta vs tors. theta energy: -61.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -873.719446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.719446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.719446 (E_RNA) where: Base-Base interactions energy: -510.719 where: short stacking energy: -257.023 Base-Backbone interact. energy: -2.001 local terms energy: -360.999608 where: bonds (distance) C4'-P energy: -70.475 bonds (distance) P-C4' energy: -87.659 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -58.654 tors. eta vs tors. theta energy: -50.134 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: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -726.012284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.012284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.012284 (E_RNA) where: Base-Base interactions energy: -434.898 where: short stacking energy: -195.624 Base-Backbone interact. energy: 0.244 local terms energy: -291.358626 where: bonds (distance) C4'-P energy: -79.866 bonds (distance) P-C4' energy: -73.504 flat angles C4'-P-C4' energy: -76.343 flat angles P-C4'-P energy: -41.339 tors. eta vs tors. theta energy: -20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1649.560213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.560213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.560213 (E_RNA) where: Base-Base interactions energy: -1193.375 where: short stacking energy: -453.177 Base-Backbone interact. energy: 2.106 local terms energy: -458.291233 where: bonds (distance) C4'-P energy: -94.343 bonds (distance) P-C4' energy: -92.967 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -64.206 tors. eta vs tors. theta energy: -117.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1576.469770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.469770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.469770 (E_RNA) where: Base-Base interactions energy: -1079.629 where: short stacking energy: -469.989 Base-Backbone interact. energy: -1.353 local terms energy: -495.488357 where: bonds (distance) C4'-P energy: -82.467 bonds (distance) P-C4' energy: -106.308 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -125.307 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1560.957708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.957708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.957708 (E_RNA) where: Base-Base interactions energy: -1118.879 where: short stacking energy: -466.010 Base-Backbone interact. energy: -2.748 local terms energy: -439.329899 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -107.864 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: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1460.400778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.400778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.400778 (E_RNA) where: Base-Base interactions energy: -1014.097 where: short stacking energy: -412.764 Base-Backbone interact. energy: -0.659 local terms energy: -445.645380 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -97.737 flat angles P-C4'-P energy: -71.593 tors. eta vs tors. theta energy: -114.355 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1352.741365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.741365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.741365 (E_RNA) where: Base-Base interactions energy: -923.944 where: short stacking energy: -399.230 Base-Backbone interact. energy: -3.486 local terms energy: -425.310701 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -83.442 flat angles C4'-P-C4' energy: -99.375 flat angles P-C4'-P energy: -67.152 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: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1291.462099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.462099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.462099 (E_RNA) where: Base-Base interactions energy: -832.321 where: short stacking energy: -384.792 Base-Backbone interact. energy: -3.681 local terms energy: -455.460968 where: bonds (distance) C4'-P energy: -97.270 bonds (distance) P-C4' energy: -87.880 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -106.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1180.246777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.246777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.246777 (E_RNA) where: Base-Base interactions energy: -799.925 where: short stacking energy: -361.197 Base-Backbone interact. energy: -2.917 local terms energy: -377.405141 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -75.957 flat angles C4'-P-C4' energy: -84.797 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -78.307 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: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1084.751288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.751288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.751288 (E_RNA) where: Base-Base interactions energy: -708.929 where: short stacking energy: -323.781 Base-Backbone interact. energy: -2.134 local terms energy: -373.688387 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -85.873 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -73.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -887.122878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.122878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.122878 (E_RNA) where: Base-Base interactions energy: -541.298 where: short stacking energy: -252.390 Base-Backbone interact. energy: 0.740 local terms energy: -346.565864 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -79.188 flat angles C4'-P-C4' energy: -88.663 flat angles P-C4'-P energy: -54.298 tors. eta vs tors. theta energy: -43.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -729.149030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.149030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.149030 (E_RNA) where: Base-Base interactions energy: -446.384 where: short stacking energy: -200.502 Base-Backbone interact. energy: -0.461 local terms energy: -282.303847 where: bonds (distance) C4'-P energy: -60.605 bonds (distance) P-C4' energy: -85.173 flat angles C4'-P-C4' energy: -80.526 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: -12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1632.763435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.763435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.763435 (E_RNA) where: Base-Base interactions energy: -1141.611 where: short stacking energy: -445.360 Base-Backbone interact. energy: 0.346 local terms energy: -491.498512 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -104.096 flat angles C4'-P-C4' energy: -107.401 flat angles P-C4'-P energy: -68.121 tors. eta vs tors. theta energy: -114.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1559.052800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.052800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.052800 (E_RNA) where: Base-Base interactions energy: -1070.446 where: short stacking energy: -448.435 Base-Backbone interact. energy: -3.039 local terms energy: -485.567619 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -88.693 flat angles C4'-P-C4' energy: -109.874 flat angles P-C4'-P energy: -67.049 tors. eta vs tors. theta energy: -126.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1549.814209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.814209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.814209 (E_RNA) where: Base-Base interactions energy: -1079.467 where: short stacking energy: -423.440 Base-Backbone interact. energy: -4.109 local terms energy: -466.237830 where: bonds (distance) C4'-P energy: -86.477 bonds (distance) P-C4' energy: -105.036 flat angles C4'-P-C4' energy: -106.177 flat angles P-C4'-P energy: -67.487 tors. eta vs tors. theta energy: -101.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1472.525015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.525015 (E_RNA) where: Base-Base interactions energy: -1022.083 where: short stacking energy: -422.985 Base-Backbone interact. energy: 0.173 local terms energy: -450.614455 where: bonds (distance) C4'-P energy: -82.878 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -95.900 flat angles P-C4'-P energy: -61.794 tors. eta vs tors. theta energy: -120.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1367.582954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.582954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.582954 (E_RNA) where: Base-Base interactions energy: -945.172 where: short stacking energy: -431.844 Base-Backbone interact. energy: 1.201 local terms energy: -423.612046 where: bonds (distance) C4'-P energy: -78.452 bonds (distance) P-C4' energy: -94.749 flat angles C4'-P-C4' energy: -90.460 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -100.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1286.076488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.076488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.076488 (E_RNA) where: Base-Base interactions energy: -876.176 where: short stacking energy: -403.353 Base-Backbone interact. energy: 1.492 local terms energy: -411.391925 where: bonds (distance) C4'-P energy: -85.837 bonds (distance) P-C4' energy: -82.949 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -110.743 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: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1159.179273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.179273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.179273 (E_RNA) where: Base-Base interactions energy: -769.850 where: short stacking energy: -356.615 Base-Backbone interact. energy: 0.682 local terms energy: -390.010790 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -62.139 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -60.027 tors. eta vs tors. theta energy: -88.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1082.324659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.324659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.324659 (E_RNA) where: Base-Base interactions energy: -731.027 where: short stacking energy: -332.804 Base-Backbone interact. energy: -1.238 local terms energy: -350.059829 where: bonds (distance) C4'-P energy: -72.021 bonds (distance) P-C4' energy: -74.829 flat angles C4'-P-C4' energy: -77.007 flat angles P-C4'-P energy: -51.244 tors. eta vs tors. theta energy: -74.959 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: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -907.650604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.650604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.650604 (E_RNA) where: Base-Base interactions energy: -568.329 where: short stacking energy: -278.107 Base-Backbone interact. energy: 2.940 local terms energy: -342.261732 where: bonds (distance) C4'-P energy: -72.917 bonds (distance) P-C4' energy: -73.940 flat angles C4'-P-C4' energy: -93.982 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -58.280 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: 167 Temperature: 1.350000 Total energy: -778.232997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.232997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.232997 (E_RNA) where: Base-Base interactions energy: -479.674 where: short stacking energy: -214.149 Base-Backbone interact. energy: 2.033 local terms energy: -300.592108 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -82.026 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -17.977 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: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1663.028628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.028628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.028628 (E_RNA) where: Base-Base interactions energy: -1166.998 where: short stacking energy: -462.138 Base-Backbone interact. energy: -2.730 local terms energy: -493.300820 where: bonds (distance) C4'-P energy: -99.714 bonds (distance) P-C4' energy: -100.792 flat angles C4'-P-C4' energy: -115.051 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: -112.411 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1565.135626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.135626 (E_RNA) where: Base-Base interactions energy: -1096.881 where: short stacking energy: -449.491 Base-Backbone interact. energy: 1.151 local terms energy: -469.405966 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -90.908 flat angles P-C4'-P energy: -69.235 tors. eta vs tors. theta energy: -129.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1552.370764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.370764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.370764 (E_RNA) where: Base-Base interactions energy: -1105.971 where: short stacking energy: -440.408 Base-Backbone interact. energy: -4.639 local terms energy: -441.760858 where: bonds (distance) C4'-P energy: -87.734 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -92.496 flat angles P-C4'-P energy: -74.172 tors. eta vs tors. theta energy: -99.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1427.659066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.659066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.659066 (E_RNA) where: Base-Base interactions energy: -980.830 where: short stacking energy: -418.271 Base-Backbone interact. energy: -1.278 local terms energy: -445.550722 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -87.649 flat angles C4'-P-C4' energy: -94.410 flat angles P-C4'-P energy: -69.382 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: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1358.925067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.925067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.925067 (E_RNA) where: Base-Base interactions energy: -929.970 where: short stacking energy: -393.818 Base-Backbone interact. energy: -0.886 local terms energy: -428.068428 where: bonds (distance) C4'-P energy: -79.037 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -94.518 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -94.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1271.175091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.175091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.175091 (E_RNA) where: Base-Base interactions energy: -863.805 where: short stacking energy: -373.719 Base-Backbone interact. energy: -0.741 local terms energy: -406.629302 where: bonds (distance) C4'-P energy: -82.919 bonds (distance) P-C4' energy: -79.298 flat angles C4'-P-C4' energy: -96.959 flat angles P-C4'-P energy: -52.151 tors. eta vs tors. theta energy: -95.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1172.253938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.253938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.253938 (E_RNA) where: Base-Base interactions energy: -780.835 where: short stacking energy: -360.418 Base-Backbone interact. energy: -0.607 local terms energy: -390.811411 where: bonds (distance) C4'-P energy: -81.114 bonds (distance) P-C4' energy: -81.026 flat angles C4'-P-C4' energy: -86.642 flat angles P-C4'-P energy: -54.727 tors. eta vs tors. theta energy: -87.303 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: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1109.012994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.012994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.012994 (E_RNA) where: Base-Base interactions energy: -749.090 where: short stacking energy: -330.679 Base-Backbone interact. energy: 0.509 local terms energy: -360.432309 where: bonds (distance) C4'-P energy: -82.113 bonds (distance) P-C4' energy: -77.666 flat angles C4'-P-C4' energy: -81.825 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -80.162 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: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -925.638073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.638073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.638073 (E_RNA) where: Base-Base interactions energy: -596.477 where: short stacking energy: -267.956 Base-Backbone interact. energy: 3.478 local terms energy: -332.639257 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -90.190 flat angles C4'-P-C4' energy: -76.507 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: -39.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -734.041025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.041025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.041025 (E_RNA) where: Base-Base interactions energy: -440.468 where: short stacking energy: -212.160 Base-Backbone interact. energy: -3.576 local terms energy: -289.997866 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -78.619 flat angles C4'-P-C4' energy: -64.599 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -27.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1682.465985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.465985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.465985 (E_RNA) where: Base-Base interactions energy: -1192.739 where: short stacking energy: -450.509 Base-Backbone interact. energy: 0.809 local terms energy: -490.535809 where: bonds (distance) C4'-P energy: -96.138 bonds (distance) P-C4' energy: -97.037 flat angles C4'-P-C4' energy: -109.815 flat angles P-C4'-P energy: -67.198 tors. eta vs tors. theta energy: -120.348 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: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1605.405184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.405184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.405184 (E_RNA) where: Base-Base interactions energy: -1130.464 where: short stacking energy: -453.684 Base-Backbone interact. energy: -4.925 local terms energy: -470.016559 where: bonds (distance) C4'-P energy: -95.237 bonds (distance) P-C4' energy: -94.515 flat angles C4'-P-C4' energy: -104.664 flat angles P-C4'-P energy: -67.480 tors. eta vs tors. theta energy: -108.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1532.986125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.986125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.986125 (E_RNA) where: Base-Base interactions energy: -1075.085 where: short stacking energy: -429.204 Base-Backbone interact. energy: -1.972 local terms energy: -455.929265 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -103.331 flat angles P-C4'-P energy: -77.165 tors. eta vs tors. theta energy: -108.722 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: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1470.813598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.813598 (E_RNA) where: Base-Base interactions energy: -1012.438 where: short stacking energy: -455.910 Base-Backbone interact. energy: -1.228 local terms energy: -457.148327 where: bonds (distance) C4'-P energy: -83.059 bonds (distance) P-C4' energy: -92.630 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -65.175 tors. eta vs tors. theta energy: -115.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1325.333503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.333503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.333503 (E_RNA) where: Base-Base interactions energy: -929.873 where: short stacking energy: -375.387 Base-Backbone interact. energy: -2.240 local terms energy: -393.220488 where: bonds (distance) C4'-P energy: -65.228 bonds (distance) P-C4' energy: -90.430 flat angles C4'-P-C4' energy: -88.177 flat angles P-C4'-P energy: -60.542 tors. eta vs tors. theta energy: -88.844 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: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1290.351639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.351639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.351639 (E_RNA) where: Base-Base interactions energy: -872.910 where: short stacking energy: -385.576 Base-Backbone interact. energy: -1.832 local terms energy: -415.610129 where: bonds (distance) C4'-P energy: -79.600 bonds (distance) P-C4' energy: -76.161 flat angles C4'-P-C4' energy: -93.637 flat angles P-C4'-P energy: -47.452 tors. eta vs tors. theta energy: -118.761 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: 169 Temperature: 1.200000 Total energy: -1156.742638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.742638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.742638 (E_RNA) where: Base-Base interactions energy: -760.008 where: short stacking energy: -346.044 Base-Backbone interact. energy: -1.955 local terms energy: -394.779441 where: bonds (distance) C4'-P energy: -79.858 bonds (distance) P-C4' energy: -87.983 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -60.853 tors. eta vs tors. theta energy: -76.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1121.729843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.729843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.729843 (E_RNA) where: Base-Base interactions energy: -739.345 where: short stacking energy: -322.380 Base-Backbone interact. energy: 0.489 local terms energy: -382.873972 where: bonds (distance) C4'-P energy: -84.859 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -72.399 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -87.506 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: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -947.707704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.707704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.707704 (E_RNA) where: Base-Base interactions energy: -624.493 where: short stacking energy: -262.434 Base-Backbone interact. energy: -3.338 local terms energy: -319.876737 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -68.193 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -55.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -747.682040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.682040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.682040 (E_RNA) where: Base-Base interactions energy: -443.044 where: short stacking energy: -195.680 Base-Backbone interact. energy: 2.048 local terms energy: -306.685264 where: bonds (distance) C4'-P energy: -87.432 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -69.148 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -28.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1673.661443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.661443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.661443 (E_RNA) where: Base-Base interactions energy: -1171.480 where: short stacking energy: -450.192 Base-Backbone interact. energy: -0.534 local terms energy: -501.647688 where: bonds (distance) C4'-P energy: -95.157 bonds (distance) P-C4' energy: -107.934 flat angles C4'-P-C4' energy: -116.634 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -129.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1593.249710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.249710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.249710 (E_RNA) where: Base-Base interactions energy: -1123.923 where: short stacking energy: -457.611 Base-Backbone interact. energy: -5.243 local terms energy: -464.083141 where: bonds (distance) C4'-P energy: -80.008 bonds (distance) P-C4' energy: -81.534 flat angles C4'-P-C4' energy: -112.139 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -112.374 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: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1524.695929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.695929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.695929 (E_RNA) where: Base-Base interactions energy: -1042.049 where: short stacking energy: -453.739 Base-Backbone interact. energy: -1.060 local terms energy: -481.587007 where: bonds (distance) C4'-P energy: -89.251 bonds (distance) P-C4' energy: -92.469 flat angles C4'-P-C4' energy: -106.132 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -123.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1463.672099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.672099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.672099 (E_RNA) where: Base-Base interactions energy: -993.833 where: short stacking energy: -443.386 Base-Backbone interact. energy: 0.236 local terms energy: -470.075216 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -88.177 flat angles C4'-P-C4' energy: -98.270 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -129.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1370.724698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.724698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.724698 (E_RNA) where: Base-Base interactions energy: -907.766 where: short stacking energy: -427.413 Base-Backbone interact. energy: -2.017 local terms energy: -460.941842 where: bonds (distance) C4'-P energy: -85.054 bonds (distance) P-C4' energy: -96.091 flat angles C4'-P-C4' energy: -94.933 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -126.510 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: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1281.694063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.694063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.694063 (E_RNA) where: Base-Base interactions energy: -885.964 where: short stacking energy: -371.708 Base-Backbone interact. energy: 2.096 local terms energy: -397.825780 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -82.409 flat angles C4'-P-C4' energy: -77.251 flat angles P-C4'-P energy: -63.264 tors. eta vs tors. theta energy: -94.235 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: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1126.666313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.666313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.666313 (E_RNA) where: Base-Base interactions energy: -743.565 where: short stacking energy: -340.823 Base-Backbone interact. energy: -0.960 local terms energy: -382.141223 where: bonds (distance) C4'-P energy: -74.491 bonds (distance) P-C4' energy: -93.671 flat angles C4'-P-C4' energy: -90.378 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -76.936 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: 170 Temperature: 1.250000 Total energy: -1110.549560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.549560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.549560 (E_RNA) where: Base-Base interactions energy: -755.074 where: short stacking energy: -326.257 Base-Backbone interact. energy: 1.848 local terms energy: -357.323874 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -66.588 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -60.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -913.760093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.760093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.760093 (E_RNA) where: Base-Base interactions energy: -599.989 where: short stacking energy: -266.458 Base-Backbone interact. energy: 1.904 local terms energy: -315.675560 where: bonds (distance) C4'-P energy: -71.934 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -43.022 tors. eta vs tors. theta energy: -42.575 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: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -773.112255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.112255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.112255 (E_RNA) where: Base-Base interactions energy: -475.114 where: short stacking energy: -209.944 Base-Backbone interact. energy: 6.502 local terms energy: -304.500227 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -95.368 flat angles C4'-P-C4' energy: -83.781 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1670.560656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.560656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.560656 (E_RNA) where: Base-Base interactions energy: -1181.646 where: short stacking energy: -468.705 Base-Backbone interact. energy: -3.064 local terms energy: -485.851074 where: bonds (distance) C4'-P energy: -92.288 bonds (distance) P-C4' energy: -95.371 flat angles C4'-P-C4' energy: -105.267 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -122.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1595.375281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.375281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.375281 (E_RNA) where: Base-Base interactions energy: -1140.084 where: short stacking energy: -459.318 Base-Backbone interact. energy: -1.034 local terms energy: -454.257355 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -85.587 flat angles C4'-P-C4' energy: -100.048 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: -113.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1535.237275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.237275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.237275 (E_RNA) where: Base-Base interactions energy: -1077.110 where: short stacking energy: -455.151 Base-Backbone interact. energy: -5.430 local terms energy: -452.697393 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -86.609 flat angles C4'-P-C4' energy: -96.283 flat angles P-C4'-P energy: -60.003 tors. eta vs tors. theta energy: -122.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1437.588152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.588152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.588152 (E_RNA) where: Base-Base interactions energy: -987.677 where: short stacking energy: -431.951 Base-Backbone interact. energy: 1.307 local terms energy: -451.218254 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -85.320 flat angles C4'-P-C4' energy: -97.571 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -120.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1363.994006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.994006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.994006 (E_RNA) where: Base-Base interactions energy: -908.171 where: short stacking energy: -429.678 Base-Backbone interact. energy: -2.235 local terms energy: -453.588488 where: bonds (distance) C4'-P energy: -81.451 bonds (distance) P-C4' energy: -85.190 flat angles C4'-P-C4' energy: -105.775 flat angles P-C4'-P energy: -53.494 tors. eta vs tors. theta energy: -127.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1277.105951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.105951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.105951 (E_RNA) where: Base-Base interactions energy: -880.342 where: short stacking energy: -343.894 Base-Backbone interact. energy: -2.031 local terms energy: -394.733716 where: bonds (distance) C4'-P energy: -80.450 bonds (distance) P-C4' energy: -85.511 flat angles C4'-P-C4' energy: -103.742 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -75.682 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1115.383099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.383099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.383099 (E_RNA) where: Base-Base interactions energy: -746.716 where: short stacking energy: -344.587 Base-Backbone interact. energy: 0.252 local terms energy: -368.919502 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -81.939 flat angles C4'-P-C4' energy: -81.561 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -87.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1033.102628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.102628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.102628 (E_RNA) where: Base-Base interactions energy: -664.850 where: short stacking energy: -278.310 Base-Backbone interact. energy: -0.650 local terms energy: -367.602273 where: bonds (distance) C4'-P energy: -70.520 bonds (distance) P-C4' energy: -92.548 flat angles C4'-P-C4' energy: -91.771 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -67.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -919.770945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.770945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.770945 (E_RNA) where: Base-Base interactions energy: -582.789 where: short stacking energy: -249.637 Base-Backbone interact. energy: 0.897 local terms energy: -337.878814 where: bonds (distance) C4'-P energy: -74.413 bonds (distance) P-C4' energy: -86.358 flat angles C4'-P-C4' energy: -76.642 flat angles P-C4'-P energy: -54.279 tors. eta vs tors. theta energy: -46.187 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: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -790.407060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.407060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.407060 (E_RNA) where: Base-Base interactions energy: -490.790 where: short stacking energy: -237.215 Base-Backbone interact. energy: -0.832 local terms energy: -298.785033 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -67.428 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -34.732 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: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1654.905460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.905460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.905460 (E_RNA) where: Base-Base interactions energy: -1173.100 where: short stacking energy: -451.559 Base-Backbone interact. energy: 5.066 local terms energy: -486.870989 where: bonds (distance) C4'-P energy: -97.760 bonds (distance) P-C4' energy: -90.853 flat angles C4'-P-C4' energy: -102.824 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -125.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1570.049998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.049998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.049998 (E_RNA) where: Base-Base interactions energy: -1105.855 where: short stacking energy: -443.587 Base-Backbone interact. energy: -0.917 local terms energy: -463.277966 where: bonds (distance) C4'-P energy: -96.688 bonds (distance) P-C4' energy: -99.476 flat angles C4'-P-C4' energy: -99.132 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -106.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1514.792728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.792728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.792728 (E_RNA) where: Base-Base interactions energy: -1069.066 where: short stacking energy: -419.287 Base-Backbone interact. energy: -2.841 local terms energy: -442.884983 where: bonds (distance) C4'-P energy: -87.005 bonds (distance) P-C4' energy: -84.388 flat angles C4'-P-C4' energy: -100.987 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -106.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1477.234439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.234439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.234439 (E_RNA) where: Base-Base interactions energy: -1001.917 where: short stacking energy: -442.299 Base-Backbone interact. energy: -2.322 local terms energy: -472.994973 where: bonds (distance) C4'-P energy: -96.181 bonds (distance) P-C4' energy: -80.066 flat angles C4'-P-C4' energy: -107.658 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -128.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1381.446722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.446722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.446722 (E_RNA) where: Base-Base interactions energy: -932.538 where: short stacking energy: -440.538 Base-Backbone interact. energy: -1.930 local terms energy: -446.978739 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -97.947 flat angles P-C4'-P energy: -68.308 tors. eta vs tors. theta energy: -119.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1279.325869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.325869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.325869 (E_RNA) where: Base-Base interactions energy: -879.164 where: short stacking energy: -382.819 Base-Backbone interact. energy: 0.321 local terms energy: -400.482279 where: bonds (distance) C4'-P energy: -90.900 bonds (distance) P-C4' energy: -81.461 flat angles C4'-P-C4' energy: -77.972 flat angles P-C4'-P energy: -59.390 tors. eta vs tors. theta energy: -90.760 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1097.138122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.138122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.138122 (E_RNA) where: Base-Base interactions energy: -743.054 where: short stacking energy: -336.479 Base-Backbone interact. energy: 2.901 local terms energy: -356.985234 where: bonds (distance) C4'-P energy: -64.919 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -78.259 flat angles P-C4'-P energy: -59.535 tors. eta vs tors. theta energy: -74.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1074.079198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.079198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.079198 (E_RNA) where: Base-Base interactions energy: -716.073 where: short stacking energy: -310.173 Base-Backbone interact. energy: -2.428 local terms energy: -355.578649 where: bonds (distance) C4'-P energy: -73.708 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -85.857 flat angles P-C4'-P energy: -60.467 tors. eta vs tors. theta energy: -64.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -934.508727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.508727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.508727 (E_RNA) where: Base-Base interactions energy: -615.514 where: short stacking energy: -263.241 Base-Backbone interact. energy: -2.415 local terms energy: -316.580565 where: bonds (distance) C4'-P energy: -70.505 bonds (distance) P-C4' energy: -84.290 flat angles C4'-P-C4' energy: -76.330 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -39.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -770.759589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.759589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.759589 (E_RNA) where: Base-Base interactions energy: -477.002 where: short stacking energy: -228.423 Base-Backbone interact. energy: -0.846 local terms energy: -292.912037 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -85.990 flat angles C4'-P-C4' energy: -68.584 flat angles P-C4'-P energy: -38.023 tors. eta vs tors. theta energy: -31.766 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: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1665.297868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.297868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.297868 (E_RNA) where: Base-Base interactions energy: -1192.161 where: short stacking energy: -471.982 Base-Backbone interact. energy: -3.296 local terms energy: -469.840855 where: bonds (distance) C4'-P energy: -88.282 bonds (distance) P-C4' energy: -97.806 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -64.418 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: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1574.343434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.343434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.343434 (E_RNA) where: Base-Base interactions energy: -1118.415 where: short stacking energy: -441.261 Base-Backbone interact. energy: -3.299 local terms energy: -452.629521 where: bonds (distance) C4'-P energy: -81.250 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -109.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1518.202232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.202232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.202232 (E_RNA) where: Base-Base interactions energy: -1038.723 where: short stacking energy: -447.598 Base-Backbone interact. energy: -4.258 local terms energy: -475.221741 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -96.829 flat angles C4'-P-C4' energy: -97.536 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -114.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1438.773565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.773565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.773565 (E_RNA) where: Base-Base interactions energy: -960.526 where: short stacking energy: -417.581 Base-Backbone interact. energy: -1.066 local terms energy: -477.181342 where: bonds (distance) C4'-P energy: -90.599 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -68.881 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: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1338.265312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.265312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.265312 (E_RNA) where: Base-Base interactions energy: -900.010 where: short stacking energy: -406.275 Base-Backbone interact. energy: -1.679 local terms energy: -436.576543 where: bonds (distance) C4'-P energy: -78.245 bonds (distance) P-C4' energy: -81.980 flat angles C4'-P-C4' energy: -100.820 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -101.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1298.434958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.434958 (E_RNA) where: Base-Base interactions energy: -898.766 where: short stacking energy: -379.688 Base-Backbone interact. energy: 3.622 local terms energy: -403.290797 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -93.970 flat angles C4'-P-C4' energy: -96.711 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -92.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1151.771131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.771131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.771131 (E_RNA) where: Base-Base interactions energy: -765.676 where: short stacking energy: -337.068 Base-Backbone interact. energy: -1.462 local terms energy: -384.633179 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -90.718 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: -91.329 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: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1087.565543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.565543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.565543 (E_RNA) where: Base-Base interactions energy: -702.086 where: short stacking energy: -321.427 Base-Backbone interact. energy: -2.761 local terms energy: -382.718492 where: bonds (distance) C4'-P energy: -81.040 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -85.586 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: -77.328 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -997.381145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.381145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.381145 (E_RNA) where: Base-Base interactions energy: -656.899 where: short stacking energy: -284.592 Base-Backbone interact. energy: 3.459 local terms energy: -343.941214 where: bonds (distance) C4'-P energy: -58.287 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -91.453 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -54.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -740.635181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.635181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.635181 (E_RNA) where: Base-Base interactions energy: -467.474 where: short stacking energy: -230.888 Base-Backbone interact. energy: -3.225 local terms energy: -269.935734 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -95.217 flat angles C4'-P-C4' energy: -54.525 flat angles P-C4'-P energy: -16.748 tors. eta vs tors. theta energy: -32.769 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: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1650.204723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.204723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.204723 (E_RNA) where: Base-Base interactions energy: -1167.730 where: short stacking energy: -470.645 Base-Backbone interact. energy: -3.854 local terms energy: -478.620112 where: bonds (distance) C4'-P energy: -95.678 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -73.008 tors. eta vs tors. theta energy: -122.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1586.984345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.984345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.984345 (E_RNA) where: Base-Base interactions energy: -1114.862 where: short stacking energy: -455.313 Base-Backbone interact. energy: -7.681 local terms energy: -464.441526 where: bonds (distance) C4'-P energy: -80.083 bonds (distance) P-C4' energy: -105.940 flat angles C4'-P-C4' energy: -103.792 flat angles P-C4'-P energy: -69.284 tors. eta vs tors. theta energy: -105.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1557.990217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.990217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.990217 (E_RNA) where: Base-Base interactions energy: -1083.086 where: short stacking energy: -435.380 Base-Backbone interact. energy: -0.116 local terms energy: -474.787494 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -97.186 flat angles C4'-P-C4' energy: -104.454 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: -117.449 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1451.432057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.432057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.432057 (E_RNA) where: Base-Base interactions energy: -1007.532 where: short stacking energy: -451.728 Base-Backbone interact. energy: 4.691 local terms energy: -448.591021 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -86.337 flat angles C4'-P-C4' energy: -98.957 flat angles P-C4'-P energy: -67.050 tors. eta vs tors. theta energy: -116.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1337.942448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.942448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.942448 (E_RNA) where: Base-Base interactions energy: -928.077 where: short stacking energy: -373.886 Base-Backbone interact. energy: -2.352 local terms energy: -407.513585 where: bonds (distance) C4'-P energy: -81.987 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -86.193 flat angles P-C4'-P energy: -65.881 tors. eta vs tors. theta energy: -94.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1267.362176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.362176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.362176 (E_RNA) where: Base-Base interactions energy: -847.756 where: short stacking energy: -368.850 Base-Backbone interact. energy: -0.770 local terms energy: -418.836595 where: bonds (distance) C4'-P energy: -80.466 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -87.185 flat angles P-C4'-P energy: -58.278 tors. eta vs tors. theta energy: -98.881 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: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1113.694034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.694034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.694034 (E_RNA) where: Base-Base interactions energy: -749.794 where: short stacking energy: -344.486 Base-Backbone interact. energy: 0.351 local terms energy: -364.251020 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -86.906 flat angles C4'-P-C4' energy: -90.623 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -67.905 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: 174 Temperature: 1.250000 Total energy: -1099.588163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.588163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.588163 (E_RNA) where: Base-Base interactions energy: -718.966 where: short stacking energy: -341.451 Base-Backbone interact. energy: 1.596 local terms energy: -382.217681 where: bonds (distance) C4'-P energy: -73.856 bonds (distance) P-C4' energy: -80.045 flat angles C4'-P-C4' energy: -90.420 flat angles P-C4'-P energy: -56.793 tors. eta vs tors. theta energy: -81.104 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: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1035.154653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.154653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.154653 (E_RNA) where: Base-Base interactions energy: -664.651 where: short stacking energy: -272.320 Base-Backbone interact. energy: -0.005 local terms energy: -370.498401 where: bonds (distance) C4'-P energy: -92.767 bonds (distance) P-C4' energy: -91.346 flat angles C4'-P-C4' energy: -82.233 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -53.570 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: 174 Temperature: 1.350000 Total energy: -694.139507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.139507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.139507 (E_RNA) where: Base-Base interactions energy: -417.332 where: short stacking energy: -227.887 Base-Backbone interact. energy: 3.310 local terms energy: -280.116657 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -78.109 flat angles C4'-P-C4' energy: -64.417 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -29.944 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: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1646.959755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.959755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.959755 (E_RNA) where: Base-Base interactions energy: -1168.104 where: short stacking energy: -458.442 Base-Backbone interact. energy: -0.685 local terms energy: -478.170902 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -88.254 flat angles C4'-P-C4' energy: -99.808 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -125.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1581.691345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.691345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.691345 (E_RNA) where: Base-Base interactions energy: -1108.110 where: short stacking energy: -427.166 Base-Backbone interact. energy: -4.034 local terms energy: -469.547799 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -94.242 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -69.741 tors. eta vs tors. theta energy: -103.218 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: 175 Temperature: 1.000000 Total energy: -1538.593514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.593514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.593514 (E_RNA) where: Base-Base interactions energy: -1064.743 where: short stacking energy: -451.463 Base-Backbone interact. energy: -0.074 local terms energy: -473.775943 where: bonds (distance) C4'-P energy: -86.538 bonds (distance) P-C4' energy: -97.572 flat angles C4'-P-C4' energy: -101.568 flat angles P-C4'-P energy: -67.819 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: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1474.328416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.328416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.328416 (E_RNA) where: Base-Base interactions energy: -1026.386 where: short stacking energy: -419.480 Base-Backbone interact. energy: -1.546 local terms energy: -446.396313 where: bonds (distance) C4'-P energy: -80.940 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -102.784 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -115.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1330.155796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.155796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.155796 (E_RNA) where: Base-Base interactions energy: -884.495 where: short stacking energy: -384.833 Base-Backbone interact. energy: -3.559 local terms energy: -442.102602 where: bonds (distance) C4'-P energy: -78.517 bonds (distance) P-C4' energy: -90.133 flat angles C4'-P-C4' energy: -101.687 flat angles P-C4'-P energy: -63.728 tors. eta vs tors. theta energy: -108.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1261.513804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.513804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.513804 (E_RNA) where: Base-Base interactions energy: -847.914 where: short stacking energy: -374.011 Base-Backbone interact. energy: 1.144 local terms energy: -414.743483 where: bonds (distance) C4'-P energy: -77.912 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -83.059 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -92.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1120.780485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.780485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.780485 (E_RNA) where: Base-Base interactions energy: -742.949 where: short stacking energy: -354.826 Base-Backbone interact. energy: 4.547 local terms energy: -382.378276 where: bonds (distance) C4'-P energy: -76.709 bonds (distance) P-C4' energy: -74.765 flat angles C4'-P-C4' energy: -99.159 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -92.381 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: 175 Temperature: 1.250000 Total energy: -1098.467887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.467887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.467887 (E_RNA) where: Base-Base interactions energy: -724.843 where: short stacking energy: -334.278 Base-Backbone interact. energy: -2.327 local terms energy: -371.298194 where: bonds (distance) C4'-P energy: -72.005 bonds (distance) P-C4' energy: -84.772 flat angles C4'-P-C4' energy: -93.112 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -69.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1036.615183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.615183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.615183 (E_RNA) where: Base-Base interactions energy: -705.640 where: short stacking energy: -298.140 Base-Backbone interact. energy: -0.079 local terms energy: -330.895805 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -87.016 flat angles C4'-P-C4' energy: -73.441 flat angles P-C4'-P energy: -28.721 tors. eta vs tors. theta energy: -61.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -670.963897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.963897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.963897 (E_RNA) where: Base-Base interactions energy: -379.160 where: short stacking energy: -191.047 Base-Backbone interact. energy: 1.705 local terms energy: -293.508626 where: bonds (distance) C4'-P energy: -83.089 bonds (distance) P-C4' energy: -80.885 flat angles C4'-P-C4' energy: -76.847 flat angles P-C4'-P energy: -33.380 tors. eta vs tors. theta energy: -19.308 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: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1637.968334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.968334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.968334 (E_RNA) where: Base-Base interactions energy: -1169.286 where: short stacking energy: -447.196 Base-Backbone interact. energy: -4.140 local terms energy: -464.542428 where: bonds (distance) C4'-P energy: -89.648 bonds (distance) P-C4' energy: -100.091 flat angles C4'-P-C4' energy: -92.058 flat angles P-C4'-P energy: -72.824 tors. eta vs tors. theta energy: -109.922 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: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1562.662105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.662105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.662105 (E_RNA) where: Base-Base interactions energy: -1092.419 where: short stacking energy: -431.989 Base-Backbone interact. energy: -1.910 local terms energy: -468.333957 where: bonds (distance) C4'-P energy: -88.003 bonds (distance) P-C4' energy: -101.809 flat angles C4'-P-C4' energy: -105.415 flat angles P-C4'-P energy: -72.186 tors. eta vs tors. theta energy: -100.921 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: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1536.887714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.887714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.887714 (E_RNA) where: Base-Base interactions energy: -1086.552 where: short stacking energy: -441.440 Base-Backbone interact. energy: 0.259 local terms energy: -450.595011 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -94.609 flat angles C4'-P-C4' energy: -101.501 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -119.795 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: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1441.939175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.939175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.939175 (E_RNA) where: Base-Base interactions energy: -991.119 where: short stacking energy: -419.536 Base-Backbone interact. energy: -2.225 local terms energy: -448.595223 where: bonds (distance) C4'-P energy: -81.507 bonds (distance) P-C4' energy: -75.506 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -113.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1343.741780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.741780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.741780 (E_RNA) where: Base-Base interactions energy: -917.683 where: short stacking energy: -404.114 Base-Backbone interact. energy: 1.866 local terms energy: -427.925215 where: bonds (distance) C4'-P energy: -90.305 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -62.145 tors. eta vs tors. theta energy: -102.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1203.906399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.906399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.906399 (E_RNA) where: Base-Base interactions energy: -812.671 where: short stacking energy: -359.051 Base-Backbone interact. energy: -3.016 local terms energy: -388.219216 where: bonds (distance) C4'-P energy: -68.675 bonds (distance) P-C4' energy: -78.339 flat angles C4'-P-C4' energy: -90.820 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -90.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1223.860701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.860701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.860701 (E_RNA) where: Base-Base interactions energy: -813.039 where: short stacking energy: -359.644 Base-Backbone interact. energy: -2.725 local terms energy: -408.096191 where: bonds (distance) C4'-P energy: -90.849 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -80.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1055.983830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.983830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.983830 (E_RNA) where: Base-Base interactions energy: -706.136 where: short stacking energy: -335.051 Base-Backbone interact. energy: -3.861 local terms energy: -345.986458 where: bonds (distance) C4'-P energy: -59.882 bonds (distance) P-C4' energy: -81.265 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -76.588 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: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -954.903891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.903891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.903891 (E_RNA) where: Base-Base interactions energy: -621.487 where: short stacking energy: -284.099 Base-Backbone interact. energy: 2.716 local terms energy: -336.133751 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -67.764 flat angles C4'-P-C4' energy: -90.567 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -57.785 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: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -685.986274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.986274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.986274 (E_RNA) where: Base-Base interactions energy: -379.227 where: short stacking energy: -179.739 Base-Backbone interact. energy: -1.853 local terms energy: -304.906221 where: bonds (distance) C4'-P energy: -97.372 bonds (distance) P-C4' energy: -74.676 flat angles C4'-P-C4' energy: -65.753 flat angles P-C4'-P energy: -47.581 tors. eta vs tors. theta energy: -19.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1670.544032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.544032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.544032 (E_RNA) where: Base-Base interactions energy: -1182.575 where: short stacking energy: -473.929 Base-Backbone interact. energy: -3.350 local terms energy: -484.619064 where: bonds (distance) C4'-P energy: -93.116 bonds (distance) P-C4' energy: -85.334 flat angles C4'-P-C4' energy: -117.788 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -122.607 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1602.142636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.142636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.142636 (E_RNA) where: Base-Base interactions energy: -1103.625 where: short stacking energy: -469.456 Base-Backbone interact. energy: -5.036 local terms energy: -493.481272 where: bonds (distance) C4'-P energy: -96.344 bonds (distance) P-C4' energy: -99.453 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -71.618 tors. eta vs tors. theta energy: -121.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1516.971999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.971999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.971999 (E_RNA) where: Base-Base interactions energy: -1082.655 where: short stacking energy: -433.650 Base-Backbone interact. energy: 1.562 local terms energy: -435.879408 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -90.178 flat angles C4'-P-C4' energy: -99.143 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -103.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1437.851764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.851764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.851764 (E_RNA) where: Base-Base interactions energy: -994.448 where: short stacking energy: -415.978 Base-Backbone interact. energy: -1.078 local terms energy: -442.326425 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -103.530 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -109.006 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: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1375.919913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.919913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.919913 (E_RNA) where: Base-Base interactions energy: -941.260 where: short stacking energy: -410.926 Base-Backbone interact. energy: 1.482 local terms energy: -436.142287 where: bonds (distance) C4'-P energy: -75.845 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -108.641 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: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1263.662698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.662698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.662698 (E_RNA) where: Base-Base interactions energy: -839.380 where: short stacking energy: -369.405 Base-Backbone interact. energy: 0.116 local terms energy: -424.398484 where: bonds (distance) C4'-P energy: -92.658 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -94.060 flat angles P-C4'-P energy: -69.554 tors. eta vs tors. theta energy: -97.701 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: 177 Temperature: 1.200000 Total energy: -1285.469169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.469169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.469169 (E_RNA) where: Base-Base interactions energy: -880.510 where: short stacking energy: -384.379 Base-Backbone interact. energy: -2.149 local terms energy: -402.810357 where: bonds (distance) C4'-P energy: -78.343 bonds (distance) P-C4' energy: -81.813 flat angles C4'-P-C4' energy: -90.187 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -92.319 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: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -978.522308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.522308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.522308 (E_RNA) where: Base-Base interactions energy: -641.189 where: short stacking energy: -303.070 Base-Backbone interact. energy: 1.323 local terms energy: -338.655740 where: bonds (distance) C4'-P energy: -69.681 bonds (distance) P-C4' energy: -78.174 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -63.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1039.136631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.136631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.136631 (E_RNA) where: Base-Base interactions energy: -682.103 where: short stacking energy: -304.557 Base-Backbone interact. energy: 0.766 local terms energy: -357.799774 where: bonds (distance) C4'-P energy: -79.196 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -73.512 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -72.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -651.094961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.094961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.094961 (E_RNA) where: Base-Base interactions energy: -355.375 where: short stacking energy: -182.686 Base-Backbone interact. energy: -2.271 local terms energy: -293.448710 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -84.443 flat angles C4'-P-C4' energy: -60.600 flat angles P-C4'-P energy: -45.618 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1700.248306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.248306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.248306 (E_RNA) where: Base-Base interactions energy: -1200.140 where: short stacking energy: -476.646 Base-Backbone interact. energy: -1.466 local terms energy: -498.641507 where: bonds (distance) C4'-P energy: -90.080 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -132.644 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: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1614.887338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.887338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.887338 (E_RNA) where: Base-Base interactions energy: -1126.562 where: short stacking energy: -458.733 Base-Backbone interact. energy: -1.978 local terms energy: -486.347225 where: bonds (distance) C4'-P energy: -95.912 bonds (distance) P-C4' energy: -98.305 flat angles C4'-P-C4' energy: -92.157 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -124.967 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: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1489.021354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.021354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.021354 (E_RNA) where: Base-Base interactions energy: -1025.720 where: short stacking energy: -418.113 Base-Backbone interact. energy: -4.476 local terms energy: -458.825678 where: bonds (distance) C4'-P energy: -102.251 bonds (distance) P-C4' energy: -86.098 flat angles C4'-P-C4' energy: -101.101 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -105.970 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: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1462.430190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.430190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.430190 (E_RNA) where: Base-Base interactions energy: -1026.761 where: short stacking energy: -436.959 Base-Backbone interact. energy: -0.852 local terms energy: -434.816964 where: bonds (distance) C4'-P energy: -85.031 bonds (distance) P-C4' energy: -88.007 flat angles C4'-P-C4' energy: -101.719 flat angles P-C4'-P energy: -55.806 tors. eta vs tors. theta energy: -104.253 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: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1375.665046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.665046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.665046 (E_RNA) where: Base-Base interactions energy: -972.552 where: short stacking energy: -411.671 Base-Backbone interact. energy: -1.649 local terms energy: -401.464170 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -84.583 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -90.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1237.571827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.571827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.571827 (E_RNA) where: Base-Base interactions energy: -834.788 where: short stacking energy: -377.142 Base-Backbone interact. energy: -1.449 local terms energy: -401.334958 where: bonds (distance) C4'-P energy: -94.412 bonds (distance) P-C4' energy: -61.409 flat angles C4'-P-C4' energy: -99.123 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -88.812 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: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1214.049929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.049929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.049929 (E_RNA) where: Base-Base interactions energy: -822.635 where: short stacking energy: -338.485 Base-Backbone interact. energy: -0.381 local terms energy: -391.033561 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -81.175 flat angles C4'-P-C4' energy: -92.385 flat angles P-C4'-P energy: -58.588 tors. eta vs tors. theta energy: -79.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -991.850589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.850589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.850589 (E_RNA) where: Base-Base interactions energy: -653.068 where: short stacking energy: -297.891 Base-Backbone interact. energy: -1.633 local terms energy: -337.149836 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -84.488 flat angles C4'-P-C4' energy: -86.870 flat angles P-C4'-P energy: -53.384 tors. eta vs tors. theta energy: -42.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -978.470300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.470300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.470300 (E_RNA) where: Base-Base interactions energy: -660.953 where: short stacking energy: -294.218 Base-Backbone interact. energy: 0.028 local terms energy: -317.545238 where: bonds (distance) C4'-P energy: -76.853 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -27.286 tors. eta vs tors. theta energy: -57.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -660.591047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.591047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.591047 (E_RNA) where: Base-Base interactions energy: -384.519 where: short stacking energy: -178.799 Base-Backbone interact. energy: -0.007 local terms energy: -276.065808 where: bonds (distance) C4'-P energy: -74.381 bonds (distance) P-C4' energy: -72.522 flat angles C4'-P-C4' energy: -64.326 flat angles P-C4'-P energy: -43.077 tors. eta vs tors. theta energy: -21.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1650.092582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.092582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.092582 (E_RNA) where: Base-Base interactions energy: -1174.525 where: short stacking energy: -471.646 Base-Backbone interact. energy: -3.297 local terms energy: -472.270738 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -90.889 flat angles C4'-P-C4' energy: -105.626 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -114.044 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: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1596.827683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.827683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.827683 (E_RNA) where: Base-Base interactions energy: -1116.291 where: short stacking energy: -455.051 Base-Backbone interact. energy: -4.085 local terms energy: -476.452480 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -99.360 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -118.347 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: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1479.464175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.464175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.464175 (E_RNA) where: Base-Base interactions energy: -1027.341 where: short stacking energy: -396.639 Base-Backbone interact. energy: -1.302 local terms energy: -450.821140 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -96.041 flat angles C4'-P-C4' energy: -95.804 flat angles P-C4'-P energy: -71.382 tors. eta vs tors. theta energy: -102.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1439.706396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.706396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.706396 (E_RNA) where: Base-Base interactions energy: -1015.175 where: short stacking energy: -435.770 Base-Backbone interact. energy: 2.479 local terms energy: -427.010554 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -70.403 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -80.322 tors. eta vs tors. theta energy: -101.214 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: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1447.425345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.425345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.425345 (E_RNA) where: Base-Base interactions energy: -992.453 where: short stacking energy: -424.021 Base-Backbone interact. energy: 1.590 local terms energy: -456.562130 where: bonds (distance) C4'-P energy: -84.629 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -93.606 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: -124.222 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: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1272.126006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.126006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.126006 (E_RNA) where: Base-Base interactions energy: -843.065 where: short stacking energy: -368.541 Base-Backbone interact. energy: 0.891 local terms energy: -429.951776 where: bonds (distance) C4'-P energy: -78.104 bonds (distance) P-C4' energy: -91.717 flat angles C4'-P-C4' energy: -95.871 flat angles P-C4'-P energy: -65.732 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: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1212.635676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.635676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.635676 (E_RNA) where: Base-Base interactions energy: -822.421 where: short stacking energy: -308.860 Base-Backbone interact. energy: 4.532 local terms energy: -394.746353 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -92.483 flat angles C4'-P-C4' energy: -76.026 flat angles P-C4'-P energy: -61.839 tors. eta vs tors. theta energy: -72.469 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: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1035.203432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.203432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.203432 (E_RNA) where: Base-Base interactions energy: -683.065 where: short stacking energy: -295.163 Base-Backbone interact. energy: -2.198 local terms energy: -349.940957 where: bonds (distance) C4'-P energy: -77.374 bonds (distance) P-C4' energy: -87.333 flat angles C4'-P-C4' energy: -72.078 flat angles P-C4'-P energy: -41.808 tors. eta vs tors. theta energy: -71.349 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -957.896099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.896099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.896099 (E_RNA) where: Base-Base interactions energy: -621.664 where: short stacking energy: -269.422 Base-Backbone interact. energy: -2.555 local terms energy: -333.677056 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -93.312 flat angles C4'-P-C4' energy: -66.717 flat angles P-C4'-P energy: -37.490 tors. eta vs tors. theta energy: -55.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -677.072616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.072616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.072616 (E_RNA) where: Base-Base interactions energy: -422.206 where: short stacking energy: -188.189 Base-Backbone interact. energy: 0.888 local terms energy: -255.754454 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -43.014 tors. eta vs tors. theta energy: -14.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1674.367324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.367324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.367324 (E_RNA) where: Base-Base interactions energy: -1181.628 where: short stacking energy: -460.072 Base-Backbone interact. energy: -3.095 local terms energy: -489.644642 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -97.163 flat angles C4'-P-C4' energy: -99.689 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -120.563 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1612.378200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.378200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.378200 (E_RNA) where: Base-Base interactions energy: -1122.082 where: short stacking energy: -479.345 Base-Backbone interact. energy: -0.075 local terms energy: -490.220388 where: bonds (distance) C4'-P energy: -91.135 bonds (distance) P-C4' energy: -94.676 flat angles C4'-P-C4' energy: -106.542 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -128.397 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: 3, replica: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1474.956840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.956840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.956840 (E_RNA) where: Base-Base interactions energy: -1021.627 where: short stacking energy: -439.602 Base-Backbone interact. energy: -2.065 local terms energy: -451.264888 where: bonds (distance) C4'-P energy: -84.581 bonds (distance) P-C4' energy: -101.731 flat angles C4'-P-C4' energy: -97.714 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -101.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1449.526293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.526293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.526293 (E_RNA) where: Base-Base interactions energy: -988.601 where: short stacking energy: -421.589 Base-Backbone interact. energy: 0.033 local terms energy: -460.958093 where: bonds (distance) C4'-P energy: -83.408 bonds (distance) P-C4' energy: -104.447 flat angles C4'-P-C4' energy: -97.062 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -107.502 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: 180 Temperature: 1.100000 Total energy: -1368.248621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.248621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.248621 (E_RNA) where: Base-Base interactions energy: -941.625 where: short stacking energy: -399.018 Base-Backbone interact. energy: -2.002 local terms energy: -424.621796 where: bonds (distance) C4'-P energy: -79.014 bonds (distance) P-C4' energy: -89.014 flat angles C4'-P-C4' energy: -90.712 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -101.535 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: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1307.413499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.413499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.413499 (E_RNA) where: Base-Base interactions energy: -878.655 where: short stacking energy: -388.190 Base-Backbone interact. energy: -1.371 local terms energy: -427.387034 where: bonds (distance) C4'-P energy: -82.459 bonds (distance) P-C4' energy: -81.927 flat angles C4'-P-C4' energy: -105.288 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: -106.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1276.786024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.786024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.786024 (E_RNA) where: Base-Base interactions energy: -907.839 where: short stacking energy: -359.878 Base-Backbone interact. energy: -0.697 local terms energy: -368.250013 where: bonds (distance) C4'-P energy: -74.603 bonds (distance) P-C4' energy: -93.994 flat angles C4'-P-C4' energy: -74.833 flat angles P-C4'-P energy: -50.015 tors. eta vs tors. theta energy: -74.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1041.629659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.629659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.629659 (E_RNA) where: Base-Base interactions energy: -687.685 where: short stacking energy: -279.130 Base-Backbone interact. energy: -2.309 local terms energy: -351.634936 where: bonds (distance) C4'-P energy: -65.581 bonds (distance) P-C4' energy: -95.139 flat angles C4'-P-C4' energy: -72.491 flat angles P-C4'-P energy: -51.205 tors. eta vs tors. theta energy: -67.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -952.679005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.679005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.679005 (E_RNA) where: Base-Base interactions energy: -625.508 where: short stacking energy: -291.112 Base-Backbone interact. energy: -2.587 local terms energy: -324.583676 where: bonds (distance) C4'-P energy: -74.845 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -39.358 tors. eta vs tors. theta energy: -52.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -642.742691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.742691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.742691 (E_RNA) where: Base-Base interactions energy: -396.464 where: short stacking energy: -189.458 Base-Backbone interact. energy: -0.257 local terms energy: -246.021441 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -83.079 flat angles C4'-P-C4' energy: -62.205 flat angles P-C4'-P energy: -31.079 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1670.515708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.515708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.515708 (E_RNA) where: Base-Base interactions energy: -1196.623 where: short stacking energy: -481.310 Base-Backbone interact. energy: -0.794 local terms energy: -473.098098 where: bonds (distance) C4'-P energy: -96.705 bonds (distance) P-C4' energy: -85.245 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -129.880 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1598.593618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.593618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.593618 (E_RNA) where: Base-Base interactions energy: -1122.062 where: short stacking energy: -473.911 Base-Backbone interact. energy: -3.006 local terms energy: -473.525488 where: bonds (distance) C4'-P energy: -80.045 bonds (distance) P-C4' energy: -83.383 flat angles C4'-P-C4' energy: -105.107 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -134.014 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1482.374304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.374304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.374304 (E_RNA) where: Base-Base interactions energy: -1027.547 where: short stacking energy: -404.920 Base-Backbone interact. energy: 0.330 local terms energy: -455.157623 where: bonds (distance) C4'-P energy: -91.129 bonds (distance) P-C4' energy: -98.783 flat angles C4'-P-C4' energy: -95.947 flat angles P-C4'-P energy: -71.249 tors. eta vs tors. theta energy: -98.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1437.906987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.906987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.906987 (E_RNA) where: Base-Base interactions energy: -983.961 where: short stacking energy: -435.273 Base-Backbone interact. energy: -3.544 local terms energy: -450.401435 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -88.414 flat angles C4'-P-C4' energy: -91.453 flat angles P-C4'-P energy: -61.376 tors. eta vs tors. theta energy: -117.965 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: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1404.210346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.210346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.210346 (E_RNA) where: Base-Base interactions energy: -973.435 where: short stacking energy: -395.120 Base-Backbone interact. energy: 0.876 local terms energy: -431.651524 where: bonds (distance) C4'-P energy: -84.463 bonds (distance) P-C4' energy: -90.231 flat angles C4'-P-C4' energy: -84.705 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -102.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1343.058629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.058629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.058629 (E_RNA) where: Base-Base interactions energy: -919.958 where: short stacking energy: -370.586 Base-Backbone interact. energy: -3.562 local terms energy: -419.538237 where: bonds (distance) C4'-P energy: -89.998 bonds (distance) P-C4' energy: -86.119 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -91.869 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: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1312.856298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.856298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.856298 (E_RNA) where: Base-Base interactions energy: -872.125 where: short stacking energy: -373.755 Base-Backbone interact. energy: -2.815 local terms energy: -437.916693 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -98.136 flat angles C4'-P-C4' energy: -87.043 flat angles P-C4'-P energy: -61.396 tors. eta vs tors. theta energy: -99.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1046.056801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.056801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.056801 (E_RNA) where: Base-Base interactions energy: -683.110 where: short stacking energy: -324.474 Base-Backbone interact. energy: -1.694 local terms energy: -361.253245 where: bonds (distance) C4'-P energy: -75.600 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -64.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -981.047747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.047747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.047747 (E_RNA) where: Base-Base interactions energy: -655.592 where: short stacking energy: -294.183 Base-Backbone interact. energy: -0.756 local terms energy: -324.699891 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -69.326 flat angles P-C4'-P energy: -44.529 tors. eta vs tors. theta energy: -63.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -708.823885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.823885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.823885 (E_RNA) where: Base-Base interactions energy: -462.669 where: short stacking energy: -228.891 Base-Backbone interact. energy: -0.138 local terms energy: -246.016568 where: bonds (distance) C4'-P energy: -65.904 bonds (distance) P-C4' energy: -51.930 flat angles C4'-P-C4' energy: -68.972 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -19.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1715.490026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.490026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.490026 (E_RNA) where: Base-Base interactions energy: -1241.258 where: short stacking energy: -465.419 Base-Backbone interact. energy: -1.146 local terms energy: -473.085955 where: bonds (distance) C4'-P energy: -79.373 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -107.880 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: -126.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1600.906559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.906559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.906559 (E_RNA) where: Base-Base interactions energy: -1122.911 where: short stacking energy: -465.582 Base-Backbone interact. energy: -1.367 local terms energy: -476.628182 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -99.558 flat angles C4'-P-C4' energy: -87.633 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: -132.232 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: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1483.283147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.283147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.283147 (E_RNA) where: Base-Base interactions energy: -1031.141 where: short stacking energy: -417.356 Base-Backbone interact. energy: -3.556 local terms energy: -448.586379 where: bonds (distance) C4'-P energy: -93.972 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -97.434 flat angles P-C4'-P energy: -65.958 tors. eta vs tors. theta energy: -95.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1430.795908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.795908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.795908 (E_RNA) where: Base-Base interactions energy: -992.143 where: short stacking energy: -404.641 Base-Backbone interact. energy: 0.796 local terms energy: -439.448999 where: bonds (distance) C4'-P energy: -82.377 bonds (distance) P-C4' energy: -84.533 flat angles C4'-P-C4' energy: -93.588 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -105.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1382.992271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.992271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.992271 (E_RNA) where: Base-Base interactions energy: -953.612 where: short stacking energy: -408.721 Base-Backbone interact. energy: -0.981 local terms energy: -428.399236 where: bonds (distance) C4'-P energy: -92.425 bonds (distance) P-C4' energy: -91.955 flat angles C4'-P-C4' energy: -92.141 flat angles P-C4'-P energy: -55.632 tors. eta vs tors. theta energy: -96.245 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: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1344.772633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.772633 (E_RNA) where: Base-Base interactions energy: -937.744 where: short stacking energy: -375.197 Base-Backbone interact. energy: -3.671 local terms energy: -403.357571 where: bonds (distance) C4'-P energy: -62.338 bonds (distance) P-C4' energy: -87.635 flat angles C4'-P-C4' energy: -92.956 flat angles P-C4'-P energy: -66.219 tors. eta vs tors. theta energy: -94.209 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: 182 Temperature: 1.200000 Total energy: -1299.761842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.761842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.761842 (E_RNA) where: Base-Base interactions energy: -899.683 where: short stacking energy: -399.093 Base-Backbone interact. energy: -1.870 local terms energy: -398.208857 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -78.036 flat angles C4'-P-C4' energy: -94.639 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -106.814 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: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1036.488851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.488851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.488851 (E_RNA) where: Base-Base interactions energy: -651.489 where: short stacking energy: -294.895 Base-Backbone interact. energy: -0.555 local terms energy: -384.445196 where: bonds (distance) C4'-P energy: -70.978 bonds (distance) P-C4' energy: -96.248 flat angles C4'-P-C4' energy: -90.865 flat angles P-C4'-P energy: -58.740 tors. eta vs tors. theta energy: -67.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -924.533937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.533937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.533937 (E_RNA) where: Base-Base interactions energy: -579.987 where: short stacking energy: -277.581 Base-Backbone interact. energy: -0.335 local terms energy: -344.211643 where: bonds (distance) C4'-P energy: -75.409 bonds (distance) P-C4' energy: -78.846 flat angles C4'-P-C4' energy: -74.816 flat angles P-C4'-P energy: -69.292 tors. eta vs tors. theta energy: -45.848 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: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -701.873035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.873035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.873035 (E_RNA) where: Base-Base interactions energy: -405.688 where: short stacking energy: -212.987 Base-Backbone interact. energy: 1.259 local terms energy: -297.443867 where: bonds (distance) C4'-P energy: -89.826 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -59.899 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -23.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1700.341325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.341325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.341325 (E_RNA) where: Base-Base interactions energy: -1199.270 where: short stacking energy: -465.744 Base-Backbone interact. energy: 0.249 local terms energy: -501.319818 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -97.283 flat angles C4'-P-C4' energy: -106.148 flat angles P-C4'-P energy: -71.379 tors. eta vs tors. theta energy: -132.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1593.704402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.704402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.704402 (E_RNA) where: Base-Base interactions energy: -1124.357 where: short stacking energy: -445.337 Base-Backbone interact. energy: -6.668 local terms energy: -462.679288 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -87.094 flat angles C4'-P-C4' energy: -105.010 flat angles P-C4'-P energy: -65.877 tors. eta vs tors. theta energy: -109.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1514.394114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.394114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.394114 (E_RNA) where: Base-Base interactions energy: -1066.196 where: short stacking energy: -426.769 Base-Backbone interact. energy: 1.179 local terms energy: -449.377099 where: bonds (distance) C4'-P energy: -88.691 bonds (distance) P-C4' energy: -87.376 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -67.818 tors. eta vs tors. theta energy: -100.672 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: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1400.034707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.034707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.034707 (E_RNA) where: Base-Base interactions energy: -975.183 where: short stacking energy: -404.839 Base-Backbone interact. energy: -1.600 local terms energy: -423.251445 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -102.595 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: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1402.851346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.851346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.851346 (E_RNA) where: Base-Base interactions energy: -985.246 where: short stacking energy: -423.923 Base-Backbone interact. energy: -2.976 local terms energy: -414.629437 where: bonds (distance) C4'-P energy: -74.460 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -88.167 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -110.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1334.650149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.650149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.650149 (E_RNA) where: Base-Base interactions energy: -938.635 where: short stacking energy: -379.939 Base-Backbone interact. energy: -1.466 local terms energy: -394.548675 where: bonds (distance) C4'-P energy: -81.272 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -52.404 tors. eta vs tors. theta energy: -88.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1292.370017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.370017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.370017 (E_RNA) where: Base-Base interactions energy: -877.710 where: short stacking energy: -375.419 Base-Backbone interact. energy: -0.799 local terms energy: -413.860224 where: bonds (distance) C4'-P energy: -90.412 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -55.733 tors. eta vs tors. theta energy: -101.562 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: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1043.562679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.562679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.562679 (E_RNA) where: Base-Base interactions energy: -692.381 where: short stacking energy: -294.938 Base-Backbone interact. energy: -1.694 local terms energy: -349.488444 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -76.247 flat angles C4'-P-C4' energy: -93.905 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -60.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -962.368024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.368024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.368024 (E_RNA) where: Base-Base interactions energy: -621.186 where: short stacking energy: -314.676 Base-Backbone interact. energy: -1.983 local terms energy: -339.198414 where: bonds (distance) C4'-P energy: -69.700 bonds (distance) P-C4' energy: -72.257 flat angles C4'-P-C4' energy: -78.974 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -67.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -675.266405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.266405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.266405 (E_RNA) where: Base-Base interactions energy: -377.375 where: short stacking energy: -179.659 Base-Backbone interact. energy: -2.593 local terms energy: -295.297638 where: bonds (distance) C4'-P energy: -72.551 bonds (distance) P-C4' energy: -89.740 flat angles C4'-P-C4' energy: -63.541 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: -20.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1702.372897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.372897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.372897 (E_RNA) where: Base-Base interactions energy: -1201.474 where: short stacking energy: -483.245 Base-Backbone interact. energy: 3.703 local terms energy: -504.601384 where: bonds (distance) C4'-P energy: -100.328 bonds (distance) P-C4' energy: -87.717 flat angles C4'-P-C4' energy: -118.889 flat angles P-C4'-P energy: -70.359 tors. eta vs tors. theta energy: -127.308 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: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1573.347150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.347150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.347150 (E_RNA) where: Base-Base interactions energy: -1122.931 where: short stacking energy: -459.642 Base-Backbone interact. energy: -1.973 local terms energy: -448.443216 where: bonds (distance) C4'-P energy: -76.964 bonds (distance) P-C4' energy: -91.874 flat angles C4'-P-C4' energy: -102.690 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: -116.109 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: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1502.982859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.982859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.982859 (E_RNA) where: Base-Base interactions energy: -1059.423 where: short stacking energy: -417.432 Base-Backbone interact. energy: -1.491 local terms energy: -442.068912 where: bonds (distance) C4'-P energy: -92.473 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -98.004 flat angles P-C4'-P energy: -60.302 tors. eta vs tors. theta energy: -98.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1394.211001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.211001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.211001 (E_RNA) where: Base-Base interactions energy: -959.001 where: short stacking energy: -402.196 Base-Backbone interact. energy: -3.556 local terms energy: -431.653568 where: bonds (distance) C4'-P energy: -86.011 bonds (distance) P-C4' energy: -90.036 flat angles C4'-P-C4' energy: -102.005 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -90.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1402.864634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.864634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.864634 (E_RNA) where: Base-Base interactions energy: -992.733 where: short stacking energy: -406.984 Base-Backbone interact. energy: -0.575 local terms energy: -409.556738 where: bonds (distance) C4'-P energy: -72.998 bonds (distance) P-C4' energy: -83.892 flat angles C4'-P-C4' energy: -101.638 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -97.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1348.504842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.504842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.504842 (E_RNA) where: Base-Base interactions energy: -953.421 where: short stacking energy: -393.012 Base-Backbone interact. energy: -4.539 local terms energy: -390.543916 where: bonds (distance) C4'-P energy: -72.443 bonds (distance) P-C4' energy: -83.983 flat angles C4'-P-C4' energy: -93.702 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -91.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1323.352300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.352300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.352300 (E_RNA) where: Base-Base interactions energy: -905.844 where: short stacking energy: -389.329 Base-Backbone interact. energy: -2.368 local terms energy: -415.139675 where: bonds (distance) C4'-P energy: -78.580 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -86.028 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -117.576 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: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1000.155876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.155876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.155876 (E_RNA) where: Base-Base interactions energy: -668.292 where: short stacking energy: -289.178 Base-Backbone interact. energy: -0.511 local terms energy: -331.352359 where: bonds (distance) C4'-P energy: -76.218 bonds (distance) P-C4' energy: -76.698 flat angles C4'-P-C4' energy: -73.000 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -57.735 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: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -978.804537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.804537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.804537 (E_RNA) where: Base-Base interactions energy: -660.983 where: short stacking energy: -273.336 Base-Backbone interact. energy: -0.673 local terms energy: -317.148599 where: bonds (distance) C4'-P energy: -81.927 bonds (distance) P-C4' energy: -75.775 flat angles C4'-P-C4' energy: -68.355 flat angles P-C4'-P energy: -42.657 tors. eta vs tors. theta energy: -48.434 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: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -634.982617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.982617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.982617 (E_RNA) where: Base-Base interactions energy: -392.200 where: short stacking energy: -204.335 Base-Backbone interact. energy: -1.748 local terms energy: -241.034450 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -6.834 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: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1690.166714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.166714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.166714 (E_RNA) where: Base-Base interactions energy: -1183.770 where: short stacking energy: -457.462 Base-Backbone interact. energy: -1.939 local terms energy: -504.457528 where: bonds (distance) C4'-P energy: -97.965 bonds (distance) P-C4' energy: -103.036 flat angles C4'-P-C4' energy: -107.033 flat angles P-C4'-P energy: -73.353 tors. eta vs tors. theta energy: -123.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1572.437840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.437840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.437840 (E_RNA) where: Base-Base interactions energy: -1102.257 where: short stacking energy: -460.542 Base-Backbone interact. energy: 0.089 local terms energy: -470.270027 where: bonds (distance) C4'-P energy: -91.427 bonds (distance) P-C4' energy: -95.182 flat angles C4'-P-C4' energy: -105.478 flat angles P-C4'-P energy: -64.954 tors. eta vs tors. theta energy: -113.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1492.130967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.130967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.130967 (E_RNA) where: Base-Base interactions energy: -1053.861 where: short stacking energy: -428.871 Base-Backbone interact. energy: 0.654 local terms energy: -438.923847 where: bonds (distance) C4'-P energy: -79.000 bonds (distance) P-C4' energy: -90.282 flat angles C4'-P-C4' energy: -97.163 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -101.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1462.685428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.685428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.685428 (E_RNA) where: Base-Base interactions energy: -1007.453 where: short stacking energy: -434.931 Base-Backbone interact. energy: -0.702 local terms energy: -454.530167 where: bonds (distance) C4'-P energy: -80.185 bonds (distance) P-C4' energy: -98.265 flat angles C4'-P-C4' energy: -100.416 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -124.438 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: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1356.431541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.431541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.431541 (E_RNA) where: Base-Base interactions energy: -907.605 where: short stacking energy: -376.144 Base-Backbone interact. energy: -1.367 local terms energy: -447.459445 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -84.702 flat angles C4'-P-C4' energy: -100.674 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1336.481039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.481039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.481039 (E_RNA) where: Base-Base interactions energy: -946.621 where: short stacking energy: -383.600 Base-Backbone interact. energy: -3.386 local terms energy: -386.473215 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -86.635 flat angles C4'-P-C4' energy: -87.522 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -91.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1283.334854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.334854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.334854 (E_RNA) where: Base-Base interactions energy: -879.128 where: short stacking energy: -377.507 Base-Backbone interact. energy: -2.192 local terms energy: -402.015129 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -77.841 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -101.812 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: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1035.011600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.011600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.011600 (E_RNA) where: Base-Base interactions energy: -692.471 where: short stacking energy: -278.190 Base-Backbone interact. energy: -0.918 local terms energy: -341.622171 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -57.749 tors. eta vs tors. theta energy: -68.648 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: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -924.819177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.819177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.819177 (E_RNA) where: Base-Base interactions energy: -604.986 where: short stacking energy: -273.417 Base-Backbone interact. energy: 3.966 local terms energy: -323.798893 where: bonds (distance) C4'-P energy: -71.517 bonds (distance) P-C4' energy: -76.890 flat angles C4'-P-C4' energy: -77.195 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -43.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -659.284307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.284307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.284307 (E_RNA) where: Base-Base interactions energy: -389.623 where: short stacking energy: -168.903 Base-Backbone interact. energy: 0.336 local terms energy: -269.997484 where: bonds (distance) C4'-P energy: -76.161 bonds (distance) P-C4' energy: -78.535 flat angles C4'-P-C4' energy: -63.045 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: -8.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1686.842381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.842381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.842381 (E_RNA) where: Base-Base interactions energy: -1198.079 where: short stacking energy: -481.381 Base-Backbone interact. energy: 0.134 local terms energy: -488.897388 where: bonds (distance) C4'-P energy: -90.736 bonds (distance) P-C4' energy: -92.476 flat angles C4'-P-C4' energy: -110.722 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: -124.468 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: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1549.776756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.776756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.776756 (E_RNA) where: Base-Base interactions energy: -1088.254 where: short stacking energy: -429.933 Base-Backbone interact. energy: 0.119 local terms energy: -461.641575 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -91.960 flat angles C4'-P-C4' energy: -97.800 flat angles P-C4'-P energy: -75.323 tors. eta vs tors. theta energy: -108.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1481.242427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.242427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.242427 (E_RNA) where: Base-Base interactions energy: -1047.743 where: short stacking energy: -435.656 Base-Backbone interact. energy: -1.399 local terms energy: -432.100642 where: bonds (distance) C4'-P energy: -93.576 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -92.531 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -97.525 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: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1457.289211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.289211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.289211 (E_RNA) where: Base-Base interactions energy: -1021.790 where: short stacking energy: -417.531 Base-Backbone interact. energy: -4.262 local terms energy: -431.237040 where: bonds (distance) C4'-P energy: -84.545 bonds (distance) P-C4' energy: -83.355 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -65.871 tors. eta vs tors. theta energy: -103.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1378.837842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.837842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.837842 (E_RNA) where: Base-Base interactions energy: -978.262 where: short stacking energy: -415.465 Base-Backbone interact. energy: -2.350 local terms energy: -398.225829 where: bonds (distance) C4'-P energy: -75.661 bonds (distance) P-C4' energy: -79.954 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -96.046 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: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1350.854042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.854042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.854042 (E_RNA) where: Base-Base interactions energy: -953.713 where: short stacking energy: -398.272 Base-Backbone interact. energy: -1.497 local terms energy: -395.644598 where: bonds (distance) C4'-P energy: -80.696 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -82.229 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -99.883 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: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1242.667999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.667999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.667999 (E_RNA) where: Base-Base interactions energy: -837.897 where: short stacking energy: -371.027 Base-Backbone interact. energy: 5.078 local terms energy: -409.849361 where: bonds (distance) C4'-P energy: -81.984 bonds (distance) P-C4' energy: -89.917 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -66.855 tors. eta vs tors. theta energy: -87.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1078.729982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.729982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.729982 (E_RNA) where: Base-Base interactions energy: -725.922 where: short stacking energy: -318.591 Base-Backbone interact. energy: -2.303 local terms energy: -350.505090 where: bonds (distance) C4'-P energy: -93.646 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -65.564 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -72.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -958.401720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.401720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.401720 (E_RNA) where: Base-Base interactions energy: -619.816 where: short stacking energy: -265.434 Base-Backbone interact. energy: -0.742 local terms energy: -337.842957 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -74.629 flat angles C4'-P-C4' energy: -84.964 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -43.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -728.153191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.153191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.153191 (E_RNA) where: Base-Base interactions energy: -442.537 where: short stacking energy: -199.704 Base-Backbone interact. energy: 1.716 local terms energy: -287.332605 where: bonds (distance) C4'-P energy: -85.475 bonds (distance) P-C4' energy: -89.701 flat angles C4'-P-C4' energy: -57.625 flat angles P-C4'-P energy: -35.825 tors. eta vs tors. theta energy: -18.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1684.455206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.455206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.455206 (E_RNA) where: Base-Base interactions energy: -1194.609 where: short stacking energy: -469.622 Base-Backbone interact. energy: -0.774 local terms energy: -489.072047 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -92.848 flat angles C4'-P-C4' energy: -108.976 flat angles P-C4'-P energy: -76.405 tors. eta vs tors. theta energy: -124.558 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: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1565.481255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.481255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.481255 (E_RNA) where: Base-Base interactions energy: -1094.398 where: short stacking energy: -461.711 Base-Backbone interact. energy: 2.126 local terms energy: -473.209009 where: bonds (distance) C4'-P energy: -77.941 bonds (distance) P-C4' energy: -92.219 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -135.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1499.602289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.602289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.602289 (E_RNA) where: Base-Base interactions energy: -1028.525 where: short stacking energy: -442.011 Base-Backbone interact. energy: 0.410 local terms energy: -471.487306 where: bonds (distance) C4'-P energy: -94.519 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -111.077 flat angles P-C4'-P energy: -76.738 tors. eta vs tors. theta energy: -100.657 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1405.565405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.565405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.565405 (E_RNA) where: Base-Base interactions energy: -980.174 where: short stacking energy: -409.712 Base-Backbone interact. energy: -2.487 local terms energy: -422.903862 where: bonds (distance) C4'-P energy: -83.443 bonds (distance) P-C4' energy: -83.330 flat angles C4'-P-C4' energy: -95.222 flat angles P-C4'-P energy: -55.451 tors. eta vs tors. theta energy: -105.459 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: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1398.452001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.452001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.452001 (E_RNA) where: Base-Base interactions energy: -967.927 where: short stacking energy: -402.521 Base-Backbone interact. energy: -1.388 local terms energy: -429.136901 where: bonds (distance) C4'-P energy: -87.402 bonds (distance) P-C4' energy: -94.481 flat angles C4'-P-C4' energy: -86.930 flat angles P-C4'-P energy: -61.169 tors. eta vs tors. theta energy: -99.155 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: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1317.889335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.889335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.889335 (E_RNA) where: Base-Base interactions energy: -902.736 where: short stacking energy: -384.668 Base-Backbone interact. energy: -1.121 local terms energy: -414.032766 where: bonds (distance) C4'-P energy: -89.860 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -96.163 flat angles P-C4'-P energy: -54.160 tors. eta vs tors. theta energy: -94.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1287.283170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.283170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.283170 (E_RNA) where: Base-Base interactions energy: -884.193 where: short stacking energy: -373.884 Base-Backbone interact. energy: -2.655 local terms energy: -400.434795 where: bonds (distance) C4'-P energy: -77.915 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -92.123 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -92.193 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: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1081.932954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.932954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.932954 (E_RNA) where: Base-Base interactions energy: -708.385 where: short stacking energy: -313.213 Base-Backbone interact. energy: -0.916 local terms energy: -372.632007 where: bonds (distance) C4'-P energy: -72.714 bonds (distance) P-C4' energy: -73.830 flat angles C4'-P-C4' energy: -78.044 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -84.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -950.834309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.834309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.834309 (E_RNA) where: Base-Base interactions energy: -645.791 where: short stacking energy: -282.713 Base-Backbone interact. energy: -3.057 local terms energy: -301.986513 where: bonds (distance) C4'-P energy: -54.459 bonds (distance) P-C4' energy: -75.248 flat angles C4'-P-C4' energy: -77.443 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -55.975 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: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -699.810675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.810675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.810675 (E_RNA) where: Base-Base interactions energy: -423.784 where: short stacking energy: -199.821 Base-Backbone interact. energy: -2.328 local terms energy: -273.698145 where: bonds (distance) C4'-P energy: -76.055 bonds (distance) P-C4' energy: -61.754 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -48.945 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1716.618211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.618211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.618211 (E_RNA) where: Base-Base interactions energy: -1222.018 where: short stacking energy: -486.546 Base-Backbone interact. energy: -0.740 local terms energy: -493.860389 where: bonds (distance) C4'-P energy: -91.178 bonds (distance) P-C4' energy: -99.579 flat angles C4'-P-C4' energy: -106.186 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -126.544 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: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1597.494476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.494476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.494476 (E_RNA) where: Base-Base interactions energy: -1115.897 where: short stacking energy: -454.513 Base-Backbone interact. energy: -3.664 local terms energy: -477.933322 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -117.495 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: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1510.509952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.509952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.509952 (E_RNA) where: Base-Base interactions energy: -1066.543 where: short stacking energy: -438.741 Base-Backbone interact. energy: 1.360 local terms energy: -445.326669 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -88.898 flat angles C4'-P-C4' energy: -92.919 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: -109.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1390.762262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.762262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.762262 (E_RNA) where: Base-Base interactions energy: -976.161 where: short stacking energy: -392.993 Base-Backbone interact. energy: -3.967 local terms energy: -410.633759 where: bonds (distance) C4'-P energy: -93.683 bonds (distance) P-C4' energy: -83.686 flat angles C4'-P-C4' energy: -88.612 flat angles P-C4'-P energy: -58.836 tors. eta vs tors. theta energy: -85.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1389.471085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.471085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.471085 (E_RNA) where: Base-Base interactions energy: -943.367 where: short stacking energy: -390.152 Base-Backbone interact. energy: -0.260 local terms energy: -445.844787 where: bonds (distance) C4'-P energy: -89.706 bonds (distance) P-C4' energy: -85.081 flat angles C4'-P-C4' energy: -101.795 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -99.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1347.799140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.799140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.799140 (E_RNA) where: Base-Base interactions energy: -945.075 where: short stacking energy: -402.283 Base-Backbone interact. energy: 5.336 local terms energy: -408.060626 where: bonds (distance) C4'-P energy: -75.673 bonds (distance) P-C4' energy: -84.865 flat angles C4'-P-C4' energy: -101.513 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -95.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1308.983843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.983843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.983843 (E_RNA) where: Base-Base interactions energy: -886.765 where: short stacking energy: -371.321 Base-Backbone interact. energy: -1.954 local terms energy: -420.264653 where: bonds (distance) C4'-P energy: -73.085 bonds (distance) P-C4' energy: -85.574 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -60.310 tors. eta vs tors. theta energy: -102.384 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: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1085.886215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.886215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.886215 (E_RNA) where: Base-Base interactions energy: -724.927 where: short stacking energy: -304.626 Base-Backbone interact. energy: 1.135 local terms energy: -362.094635 where: bonds (distance) C4'-P energy: -65.797 bonds (distance) P-C4' energy: -89.828 flat angles C4'-P-C4' energy: -83.643 flat angles P-C4'-P energy: -65.682 tors. eta vs tors. theta energy: -57.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -944.175412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.175412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.175412 (E_RNA) where: Base-Base interactions energy: -620.389 where: short stacking energy: -274.297 Base-Backbone interact. energy: 3.003 local terms energy: -326.789571 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -83.800 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: -58.126 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: 188 Temperature: 1.350000 Total energy: -657.265659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.265659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.265659 (E_RNA) where: Base-Base interactions energy: -397.447 where: short stacking energy: -192.514 Base-Backbone interact. energy: -2.931 local terms energy: -256.887570 where: bonds (distance) C4'-P energy: -87.473 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -57.635 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1681.265042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.265042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.265042 (E_RNA) where: Base-Base interactions energy: -1187.165 where: short stacking energy: -469.041 Base-Backbone interact. energy: 0.752 local terms energy: -494.851849 where: bonds (distance) C4'-P energy: -93.929 bonds (distance) P-C4' energy: -93.683 flat angles C4'-P-C4' energy: -116.239 flat angles P-C4'-P energy: -65.805 tors. eta vs tors. theta energy: -125.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1574.983875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.983875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.983875 (E_RNA) where: Base-Base interactions energy: -1113.738 where: short stacking energy: -465.063 Base-Backbone interact. energy: 1.206 local terms energy: -462.451530 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -93.669 flat angles C4'-P-C4' energy: -103.268 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -124.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1518.517353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.517353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.517353 (E_RNA) where: Base-Base interactions energy: -1088.290 where: short stacking energy: -430.572 Base-Backbone interact. energy: 0.937 local terms energy: -431.164289 where: bonds (distance) C4'-P energy: -71.867 bonds (distance) P-C4' energy: -94.030 flat angles C4'-P-C4' energy: -112.443 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -101.134 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: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1448.873104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.873104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.873104 (E_RNA) where: Base-Base interactions energy: -999.750 where: short stacking energy: -413.561 Base-Backbone interact. energy: -0.846 local terms energy: -448.277400 where: bonds (distance) C4'-P energy: -87.879 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -99.701 flat angles P-C4'-P energy: -56.623 tors. eta vs tors. theta energy: -118.244 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: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1368.413981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.413981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.413981 (E_RNA) where: Base-Base interactions energy: -953.539 where: short stacking energy: -402.278 Base-Backbone interact. energy: 0.525 local terms energy: -415.400172 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -85.752 flat angles C4'-P-C4' energy: -96.069 flat angles P-C4'-P energy: -60.994 tors. eta vs tors. theta energy: -98.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1342.866100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.866100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.866100 (E_RNA) where: Base-Base interactions energy: -937.339 where: short stacking energy: -388.030 Base-Backbone interact. energy: -6.521 local terms energy: -399.005508 where: bonds (distance) C4'-P energy: -80.770 bonds (distance) P-C4' energy: -86.055 flat angles C4'-P-C4' energy: -96.073 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -88.728 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: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1327.772747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.772747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.772747 (E_RNA) where: Base-Base interactions energy: -914.448 where: short stacking energy: -405.692 Base-Backbone interact. energy: 2.120 local terms energy: -415.444637 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -82.153 flat angles C4'-P-C4' energy: -95.412 flat angles P-C4'-P energy: -63.153 tors. eta vs tors. theta energy: -108.881 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: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1002.833539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.833539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.833539 (E_RNA) where: Base-Base interactions energy: -671.068 where: short stacking energy: -305.999 Base-Backbone interact. energy: 1.353 local terms energy: -333.118800 where: bonds (distance) C4'-P energy: -62.859 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -48.213 tors. eta vs tors. theta energy: -63.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -991.778465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.778465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.778465 (E_RNA) where: Base-Base interactions energy: -651.581 where: short stacking energy: -278.519 Base-Backbone interact. energy: -2.109 local terms energy: -338.089094 where: bonds (distance) C4'-P energy: -78.992 bonds (distance) P-C4' energy: -84.541 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -51.157 tors. eta vs tors. theta energy: -49.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -672.119990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.119990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.119990 (E_RNA) where: Base-Base interactions energy: -396.736 where: short stacking energy: -176.222 Base-Backbone interact. energy: -1.365 local terms energy: -274.018627 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -75.243 flat angles P-C4'-P energy: -35.865 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1680.072326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.072326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.072326 (E_RNA) where: Base-Base interactions energy: -1200.286 where: short stacking energy: -459.002 Base-Backbone interact. energy: -0.422 local terms energy: -479.364313 where: bonds (distance) C4'-P energy: -89.160 bonds (distance) P-C4' energy: -99.521 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -65.050 tors. eta vs tors. theta energy: -123.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1574.556136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.556136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.556136 (E_RNA) where: Base-Base interactions energy: -1108.014 where: short stacking energy: -473.386 Base-Backbone interact. energy: -2.917 local terms energy: -463.625597 where: bonds (distance) C4'-P energy: -77.310 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -98.189 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -119.549 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: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1542.462281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.462281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.462281 (E_RNA) where: Base-Base interactions energy: -1081.290 where: short stacking energy: -454.391 Base-Backbone interact. energy: 3.153 local terms energy: -464.325865 where: bonds (distance) C4'-P energy: -81.948 bonds (distance) P-C4' energy: -92.093 flat angles C4'-P-C4' energy: -106.738 flat angles P-C4'-P energy: -74.149 tors. eta vs tors. theta energy: -109.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1454.988946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.988946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.988946 (E_RNA) where: Base-Base interactions energy: -976.204 where: short stacking energy: -437.971 Base-Backbone interact. energy: -0.991 local terms energy: -477.793269 where: bonds (distance) C4'-P energy: -90.090 bonds (distance) P-C4' energy: -98.074 flat angles C4'-P-C4' energy: -99.824 flat angles P-C4'-P energy: -65.388 tors. eta vs tors. theta energy: -124.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1395.699797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.699797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.699797 (E_RNA) where: Base-Base interactions energy: -976.029 where: short stacking energy: -421.336 Base-Backbone interact. energy: -1.521 local terms energy: -418.150333 where: bonds (distance) C4'-P energy: -79.751 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -95.809 flat angles P-C4'-P energy: -61.716 tors. eta vs tors. theta energy: -105.655 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: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1348.012948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.012948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.012948 (E_RNA) where: Base-Base interactions energy: -920.770 where: short stacking energy: -403.312 Base-Backbone interact. energy: -0.991 local terms energy: -426.251444 where: bonds (distance) C4'-P energy: -73.577 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -85.013 flat angles P-C4'-P energy: -69.509 tors. eta vs tors. theta energy: -105.744 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: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1281.819962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.819962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.819962 (E_RNA) where: Base-Base interactions energy: -868.857 where: short stacking energy: -370.860 Base-Backbone interact. energy: -2.399 local terms energy: -410.563282 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -80.941 flat angles C4'-P-C4' energy: -93.603 flat angles P-C4'-P energy: -52.012 tors. eta vs tors. theta energy: -94.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1066.041050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.041050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.041050 (E_RNA) where: Base-Base interactions energy: -693.804 where: short stacking energy: -280.456 Base-Backbone interact. energy: -3.544 local terms energy: -368.693056 where: bonds (distance) C4'-P energy: -80.564 bonds (distance) P-C4' energy: -88.616 flat angles C4'-P-C4' energy: -80.062 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -62.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -941.319493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.319493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.319493 (E_RNA) where: Base-Base interactions energy: -606.406 where: short stacking energy: -259.242 Base-Backbone interact. energy: 2.699 local terms energy: -337.611919 where: bonds (distance) C4'-P energy: -80.525 bonds (distance) P-C4' energy: -71.189 flat angles C4'-P-C4' energy: -83.235 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -58.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -641.989055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.989055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.989055 (E_RNA) where: Base-Base interactions energy: -385.291 where: short stacking energy: -179.355 Base-Backbone interact. energy: 0.985 local terms energy: -257.682965 where: bonds (distance) C4'-P energy: -70.728 bonds (distance) P-C4' energy: -83.410 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -31.227 tors. eta vs tors. theta energy: -14.446 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: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1673.312938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.312938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.312938 (E_RNA) where: Base-Base interactions energy: -1188.189 where: short stacking energy: -458.082 Base-Backbone interact. energy: 0.400 local terms energy: -485.523747 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -99.776 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -123.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1626.415909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.415909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.415909 (E_RNA) where: Base-Base interactions energy: -1158.551 where: short stacking energy: -474.619 Base-Backbone interact. energy: -6.185 local terms energy: -461.679304 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -82.686 flat angles C4'-P-C4' energy: -104.835 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -109.585 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: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1531.970607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.970607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.970607 (E_RNA) where: Base-Base interactions energy: -1075.947 where: short stacking energy: -468.130 Base-Backbone interact. energy: -4.092 local terms energy: -451.930949 where: bonds (distance) C4'-P energy: -78.907 bonds (distance) P-C4' energy: -90.843 flat angles C4'-P-C4' energy: -86.894 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: -137.446 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: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1431.770769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.770769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.770769 (E_RNA) where: Base-Base interactions energy: -987.071 where: short stacking energy: -424.859 Base-Backbone interact. energy: -1.668 local terms energy: -443.031821 where: bonds (distance) C4'-P energy: -85.601 bonds (distance) P-C4' energy: -79.217 flat angles C4'-P-C4' energy: -100.478 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -113.843 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: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1426.656428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.656428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.656428 (E_RNA) where: Base-Base interactions energy: -983.632 where: short stacking energy: -423.932 Base-Backbone interact. energy: -1.517 local terms energy: -441.507407 where: bonds (distance) C4'-P energy: -71.842 bonds (distance) P-C4' energy: -97.716 flat angles C4'-P-C4' energy: -96.385 flat angles P-C4'-P energy: -65.540 tors. eta vs tors. theta energy: -110.024 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: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1341.357736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.357736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.357736 (E_RNA) where: Base-Base interactions energy: -922.263 where: short stacking energy: -381.818 Base-Backbone interact. energy: -5.763 local terms energy: -413.331829 where: bonds (distance) C4'-P energy: -76.410 bonds (distance) P-C4' energy: -84.160 flat angles C4'-P-C4' energy: -98.278 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: -95.889 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: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1305.554263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.554263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.554263 (E_RNA) where: Base-Base interactions energy: -882.889 where: short stacking energy: -400.937 Base-Backbone interact. energy: -2.963 local terms energy: -419.701921 where: bonds (distance) C4'-P energy: -76.265 bonds (distance) P-C4' energy: -84.878 flat angles C4'-P-C4' energy: -90.257 flat angles P-C4'-P energy: -67.970 tors. eta vs tors. theta energy: -100.331 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: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1058.528779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.528779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.528779 (E_RNA) where: Base-Base interactions energy: -706.045 where: short stacking energy: -310.085 Base-Backbone interact. energy: -2.802 local terms energy: -349.681812 where: bonds (distance) C4'-P energy: -60.957 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -60.889 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: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -885.111536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.111536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.111536 (E_RNA) where: Base-Base interactions energy: -561.849 where: short stacking energy: -246.556 Base-Backbone interact. energy: 0.136 local terms energy: -323.397927 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -79.196 flat angles C4'-P-C4' energy: -84.070 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -34.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -614.950738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.950738 (E_RNA) where: Base-Base interactions energy: -361.909 where: short stacking energy: -176.524 Base-Backbone interact. energy: 0.363 local terms energy: -253.404651 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -67.789 flat angles C4'-P-C4' energy: -63.492 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -22.668 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: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1653.127019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.127019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.127019 (E_RNA) where: Base-Base interactions energy: -1160.673 where: short stacking energy: -473.020 Base-Backbone interact. energy: 2.072 local terms energy: -494.526735 where: bonds (distance) C4'-P energy: -95.986 bonds (distance) P-C4' energy: -99.837 flat angles C4'-P-C4' energy: -107.603 flat angles P-C4'-P energy: -74.534 tors. eta vs tors. theta energy: -116.566 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: 192 Temperature: 0.950000 Total energy: -1632.636219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.636219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.636219 (E_RNA) where: Base-Base interactions energy: -1145.935 where: short stacking energy: -457.229 Base-Backbone interact. energy: 2.327 local terms energy: -489.028495 where: bonds (distance) C4'-P energy: -102.130 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -61.968 tors. eta vs tors. theta energy: -123.390 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: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1542.328368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.328368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.328368 (E_RNA) where: Base-Base interactions energy: -1083.897 where: short stacking energy: -471.104 Base-Backbone interact. energy: -3.612 local terms energy: -454.818718 where: bonds (distance) C4'-P energy: -92.644 bonds (distance) P-C4' energy: -81.985 flat angles C4'-P-C4' energy: -95.180 flat angles P-C4'-P energy: -59.966 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: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1454.457573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.457573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.457573 (E_RNA) where: Base-Base interactions energy: -1004.803 where: short stacking energy: -434.069 Base-Backbone interact. energy: -1.931 local terms energy: -447.724089 where: bonds (distance) C4'-P energy: -87.604 bonds (distance) P-C4' energy: -79.777 flat angles C4'-P-C4' energy: -97.887 flat angles P-C4'-P energy: -74.930 tors. eta vs tors. theta energy: -107.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1421.457322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.457322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.457322 (E_RNA) where: Base-Base interactions energy: -973.845 where: short stacking energy: -416.475 Base-Backbone interact. energy: -1.945 local terms energy: -445.666639 where: bonds (distance) C4'-P energy: -88.363 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -55.639 tors. eta vs tors. theta energy: -118.642 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: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1317.829958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.829958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.829958 (E_RNA) where: Base-Base interactions energy: -922.870 where: short stacking energy: -387.768 Base-Backbone interact. energy: -1.283 local terms energy: -393.677172 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -89.757 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1297.588888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.588888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.588888 (E_RNA) where: Base-Base interactions energy: -892.443 where: short stacking energy: -390.754 Base-Backbone interact. energy: -0.183 local terms energy: -404.962456 where: bonds (distance) C4'-P energy: -70.957 bonds (distance) P-C4' energy: -80.128 flat angles C4'-P-C4' energy: -87.316 flat angles P-C4'-P energy: -61.411 tors. eta vs tors. theta energy: -105.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1067.497651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.497651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.497651 (E_RNA) where: Base-Base interactions energy: -707.356 where: short stacking energy: -290.353 Base-Backbone interact. energy: -2.260 local terms energy: -357.881604 where: bonds (distance) C4'-P energy: -79.790 bonds (distance) P-C4' energy: -79.795 flat angles C4'-P-C4' energy: -91.549 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: -51.256 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: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -808.921722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.921722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.921722 (E_RNA) where: Base-Base interactions energy: -489.254 where: short stacking energy: -224.704 Base-Backbone interact. energy: 1.608 local terms energy: -321.276434 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -79.628 flat angles C4'-P-C4' energy: -78.808 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -33.827 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: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -635.977525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.977525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.977525 (E_RNA) where: Base-Base interactions energy: -357.416 where: short stacking energy: -177.351 Base-Backbone interact. energy: 1.924 local terms energy: -280.485868 where: bonds (distance) C4'-P energy: -66.844 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -68.422 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -8.487 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: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1624.172773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.172773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.172773 (E_RNA) where: Base-Base interactions energy: -1123.394 where: short stacking energy: -455.725 Base-Backbone interact. energy: -3.178 local terms energy: -497.600716 where: bonds (distance) C4'-P energy: -106.595 bonds (distance) P-C4' energy: -105.396 flat angles C4'-P-C4' energy: -104.758 flat angles P-C4'-P energy: -75.047 tors. eta vs tors. theta energy: -105.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1640.612287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.612287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.612287 (E_RNA) where: Base-Base interactions energy: -1156.417 where: short stacking energy: -447.372 Base-Backbone interact. energy: -0.469 local terms energy: -483.726000 where: bonds (distance) C4'-P energy: -91.383 bonds (distance) P-C4' energy: -94.062 flat angles C4'-P-C4' energy: -101.130 flat angles P-C4'-P energy: -73.220 tors. eta vs tors. theta energy: -123.930 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: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1550.041647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.041647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.041647 (E_RNA) where: Base-Base interactions energy: -1075.028 where: short stacking energy: -451.971 Base-Backbone interact. energy: -0.111 local terms energy: -474.902953 where: bonds (distance) C4'-P energy: -95.421 bonds (distance) P-C4' energy: -98.522 flat angles C4'-P-C4' energy: -99.816 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: -120.948 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: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1401.068063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.068063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.068063 (E_RNA) where: Base-Base interactions energy: -965.171 where: short stacking energy: -418.079 Base-Backbone interact. energy: -0.491 local terms energy: -435.406217 where: bonds (distance) C4'-P energy: -78.425 bonds (distance) P-C4' energy: -96.550 flat angles C4'-P-C4' energy: -85.747 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -106.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1436.423436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.423436 (E_RNA) where: Base-Base interactions energy: -1003.418 where: short stacking energy: -427.556 Base-Backbone interact. energy: -0.190 local terms energy: -432.815714 where: bonds (distance) C4'-P energy: -82.404 bonds (distance) P-C4' energy: -87.549 flat angles C4'-P-C4' energy: -101.466 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -111.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1363.060956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.060956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.060956 (E_RNA) where: Base-Base interactions energy: -954.670 where: short stacking energy: -404.043 Base-Backbone interact. energy: -1.543 local terms energy: -406.847082 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -84.280 flat angles C4'-P-C4' energy: -91.537 flat angles P-C4'-P energy: -71.464 tors. eta vs tors. theta energy: -88.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1266.928162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.928162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.928162 (E_RNA) where: Base-Base interactions energy: -858.106 where: short stacking energy: -386.570 Base-Backbone interact. energy: 0.686 local terms energy: -409.508899 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -82.231 flat angles C4'-P-C4' energy: -85.830 flat angles P-C4'-P energy: -61.116 tors. eta vs tors. theta energy: -105.745 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: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1068.896801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.896801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.896801 (E_RNA) where: Base-Base interactions energy: -672.738 where: short stacking energy: -278.801 Base-Backbone interact. energy: -3.993 local terms energy: -392.165484 where: bonds (distance) C4'-P energy: -94.004 bonds (distance) P-C4' energy: -88.533 flat angles C4'-P-C4' energy: -79.871 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -64.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -873.713014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.713014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.713014 (E_RNA) where: Base-Base interactions energy: -545.658 where: short stacking energy: -288.238 Base-Backbone interact. energy: 0.025 local terms energy: -328.080295 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -66.885 flat angles C4'-P-C4' energy: -92.059 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -58.277 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -671.665658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.665658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.665658 (E_RNA) where: Base-Base interactions energy: -389.007 where: short stacking energy: -197.675 Base-Backbone interact. energy: -2.223 local terms energy: -280.436175 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -92.799 flat angles C4'-P-C4' energy: -55.524 flat angles P-C4'-P energy: -32.362 tors. eta vs tors. theta energy: -25.890 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: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1658.188369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.188369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.188369 (E_RNA) where: Base-Base interactions energy: -1196.842 where: short stacking energy: -474.392 Base-Backbone interact. energy: 1.730 local terms energy: -463.075823 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -84.092 flat angles C4'-P-C4' energy: -95.215 flat angles P-C4'-P energy: -75.948 tors. eta vs tors. theta energy: -109.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1616.711948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.711948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.711948 (E_RNA) where: Base-Base interactions energy: -1153.765 where: short stacking energy: -472.422 Base-Backbone interact. energy: 0.605 local terms energy: -463.551632 where: bonds (distance) C4'-P energy: -93.541 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -98.531 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -125.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1505.681118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.681118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.681118 (E_RNA) where: Base-Base interactions energy: -1059.512 where: short stacking energy: -432.786 Base-Backbone interact. energy: -3.824 local terms energy: -442.345108 where: bonds (distance) C4'-P energy: -93.333 bonds (distance) P-C4' energy: -88.323 flat angles C4'-P-C4' energy: -92.070 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -101.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1512.960052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.960052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.960052 (E_RNA) where: Base-Base interactions energy: -1068.231 where: short stacking energy: -449.072 Base-Backbone interact. energy: -1.334 local terms energy: -443.394192 where: bonds (distance) C4'-P energy: -86.549 bonds (distance) P-C4' energy: -80.824 flat angles C4'-P-C4' energy: -99.343 flat angles P-C4'-P energy: -57.767 tors. eta vs tors. theta energy: -118.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1387.585509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.585509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.585509 (E_RNA) where: Base-Base interactions energy: -964.103 where: short stacking energy: -407.641 Base-Backbone interact. energy: -0.890 local terms energy: -422.592849 where: bonds (distance) C4'-P energy: -82.361 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -48.907 tors. eta vs tors. theta energy: -101.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1396.590442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.590442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.590442 (E_RNA) where: Base-Base interactions energy: -962.670 where: short stacking energy: -410.700 Base-Backbone interact. energy: -1.107 local terms energy: -432.813498 where: bonds (distance) C4'-P energy: -88.776 bonds (distance) P-C4' energy: -88.911 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -121.458 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: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1282.487391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.487391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.487391 (E_RNA) where: Base-Base interactions energy: -875.058 where: short stacking energy: -362.533 Base-Backbone interact. energy: -0.802 local terms energy: -406.627383 where: bonds (distance) C4'-P energy: -62.355 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -102.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1091.717727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.717727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.717727 (E_RNA) where: Base-Base interactions energy: -746.325 where: short stacking energy: -322.457 Base-Backbone interact. energy: -1.623 local terms energy: -343.769378 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -68.872 flat angles C4'-P-C4' energy: -86.314 flat angles P-C4'-P energy: -59.775 tors. eta vs tors. theta energy: -69.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -834.452452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.452452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.452452 (E_RNA) where: Base-Base interactions energy: -516.938 where: short stacking energy: -248.433 Base-Backbone interact. energy: 2.256 local terms energy: -319.770714 where: bonds (distance) C4'-P energy: -75.350 bonds (distance) P-C4' energy: -79.935 flat angles C4'-P-C4' energy: -92.911 flat angles P-C4'-P energy: -49.854 tors. eta vs tors. theta energy: -21.721 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: 194 Temperature: 1.350000 Total energy: -634.018509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.018509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.018509 (E_RNA) where: Base-Base interactions energy: -364.887 where: short stacking energy: -181.560 Base-Backbone interact. energy: -1.392 local terms energy: -267.740418 where: bonds (distance) C4'-P energy: -70.403 bonds (distance) P-C4' energy: -79.137 flat angles C4'-P-C4' energy: -75.710 flat angles P-C4'-P energy: -33.563 tors. eta vs tors. theta energy: -8.928 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: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1654.644691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.644691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.644691 (E_RNA) where: Base-Base interactions energy: -1158.308 where: short stacking energy: -456.159 Base-Backbone interact. energy: -3.818 local terms energy: -492.518641 where: bonds (distance) C4'-P energy: -99.629 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -112.212 flat angles P-C4'-P energy: -72.009 tors. eta vs tors. theta energy: -105.342 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: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1595.880573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.880573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.880573 (E_RNA) where: Base-Base interactions energy: -1147.968 where: short stacking energy: -462.301 Base-Backbone interact. energy: 6.322 local terms energy: -454.235043 where: bonds (distance) C4'-P energy: -92.470 bonds (distance) P-C4' energy: -96.474 flat angles C4'-P-C4' energy: -98.329 flat angles P-C4'-P energy: -66.500 tors. eta vs tors. theta energy: -100.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1469.008759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.008759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.008759 (E_RNA) where: Base-Base interactions energy: -1008.933 where: short stacking energy: -425.862 Base-Backbone interact. energy: -2.415 local terms energy: -457.660209 where: bonds (distance) C4'-P energy: -89.846 bonds (distance) P-C4' energy: -87.885 flat angles C4'-P-C4' energy: -100.211 flat angles P-C4'-P energy: -75.264 tors. eta vs tors. theta energy: -104.454 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: 195 Temperature: 1.050000 Total energy: -1451.018402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.018402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.018402 (E_RNA) where: Base-Base interactions energy: -1018.228 where: short stacking energy: -421.649 Base-Backbone interact. energy: -5.784 local terms energy: -427.006530 where: bonds (distance) C4'-P energy: -78.533 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -92.412 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -113.509 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: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1365.974457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.974457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.974457 (E_RNA) where: Base-Base interactions energy: -958.673 where: short stacking energy: -418.126 Base-Backbone interact. energy: -3.112 local terms energy: -404.188962 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -98.072 flat angles P-C4'-P energy: -38.859 tors. eta vs tors. theta energy: -110.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1346.948169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.948169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.948169 (E_RNA) where: Base-Base interactions energy: -920.792 where: short stacking energy: -393.011 Base-Backbone interact. energy: -0.589 local terms energy: -425.567054 where: bonds (distance) C4'-P energy: -85.879 bonds (distance) P-C4' energy: -84.740 flat angles C4'-P-C4' energy: -86.767 flat angles P-C4'-P energy: -67.043 tors. eta vs tors. theta energy: -101.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1299.959553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.959553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.959553 (E_RNA) where: Base-Base interactions energy: -878.802 where: short stacking energy: -381.452 Base-Backbone interact. energy: -1.308 local terms energy: -419.849384 where: bonds (distance) C4'-P energy: -88.717 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -100.007 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -103.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1112.738033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.738033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.738033 (E_RNA) where: Base-Base interactions energy: -741.283 where: short stacking energy: -324.364 Base-Backbone interact. energy: -2.280 local terms energy: -369.175247 where: bonds (distance) C4'-P energy: -76.000 bonds (distance) P-C4' energy: -84.803 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -76.941 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: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -756.262791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.262791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.262791 (E_RNA) where: Base-Base interactions energy: -448.314 where: short stacking energy: -226.640 Base-Backbone interact. energy: -2.671 local terms energy: -305.277257 where: bonds (distance) C4'-P energy: -81.400 bonds (distance) P-C4' energy: -78.722 flat angles C4'-P-C4' energy: -68.525 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -32.826 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: 195 Temperature: 1.350000 Total energy: -674.947184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.947184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.947184 (E_RNA) where: Base-Base interactions energy: -385.015 where: short stacking energy: -229.277 Base-Backbone interact. energy: 2.473 local terms energy: -292.405928 where: bonds (distance) C4'-P energy: -68.426 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -63.197 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -30.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1629.996159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.996159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.996159 (E_RNA) where: Base-Base interactions energy: -1153.825 where: short stacking energy: -441.777 Base-Backbone interact. energy: 5.920 local terms energy: -482.091072 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -99.604 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -71.295 tors. eta vs tors. theta energy: -110.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1634.970180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.970180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.970180 (E_RNA) where: Base-Base interactions energy: -1157.863 where: short stacking energy: -469.883 Base-Backbone interact. energy: -1.834 local terms energy: -475.273110 where: bonds (distance) C4'-P energy: -92.468 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -106.149 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -118.642 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: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1440.582851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.582851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.582851 (E_RNA) where: Base-Base interactions energy: -1028.503 where: short stacking energy: -434.534 Base-Backbone interact. energy: -2.745 local terms energy: -409.334718 where: bonds (distance) C4'-P energy: -78.013 bonds (distance) P-C4' energy: -79.616 flat angles C4'-P-C4' energy: -85.956 flat angles P-C4'-P energy: -66.254 tors. eta vs tors. theta energy: -99.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1461.617636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.617636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.617636 (E_RNA) where: Base-Base interactions energy: -1025.424 where: short stacking energy: -422.477 Base-Backbone interact. energy: -2.200 local terms energy: -433.993908 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -83.592 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -109.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1396.970058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.970058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.970058 (E_RNA) where: Base-Base interactions energy: -994.104 where: short stacking energy: -388.706 Base-Backbone interact. energy: 1.836 local terms energy: -404.702619 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -76.282 flat angles C4'-P-C4' energy: -96.859 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: -102.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1285.751808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.751808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.751808 (E_RNA) where: Base-Base interactions energy: -876.874 where: short stacking energy: -352.901 Base-Backbone interact. energy: -1.312 local terms energy: -407.565272 where: bonds (distance) C4'-P energy: -84.970 bonds (distance) P-C4' energy: -93.661 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -88.186 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: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1289.826708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.826708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.826708 (E_RNA) where: Base-Base interactions energy: -876.067 where: short stacking energy: -378.579 Base-Backbone interact. energy: -2.657 local terms energy: -411.102235 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -89.036 flat angles C4'-P-C4' energy: -86.146 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: -106.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1123.700107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.700107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.700107 (E_RNA) where: Base-Base interactions energy: -728.217 where: short stacking energy: -314.421 Base-Backbone interact. energy: -1.863 local terms energy: -393.619693 where: bonds (distance) C4'-P energy: -90.195 bonds (distance) P-C4' energy: -84.843 flat angles C4'-P-C4' energy: -91.210 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -69.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -776.345578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.345578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.345578 (E_RNA) where: Base-Base interactions energy: -504.733 where: short stacking energy: -238.035 Base-Backbone interact. energy: 6.560 local terms energy: -278.172339 where: bonds (distance) C4'-P energy: -74.823 bonds (distance) P-C4' energy: -58.132 flat angles C4'-P-C4' energy: -79.814 flat angles P-C4'-P energy: -29.693 tors. eta vs tors. theta energy: -35.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -630.618760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.618760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.618760 (E_RNA) where: Base-Base interactions energy: -351.488 where: short stacking energy: -184.426 Base-Backbone interact. energy: 1.011 local terms energy: -280.141838 where: bonds (distance) C4'-P energy: -77.930 bonds (distance) P-C4' energy: -86.785 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -35.796 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: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1650.107058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.107058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.107058 (E_RNA) where: Base-Base interactions energy: -1179.642 where: short stacking energy: -473.549 Base-Backbone interact. energy: -0.572 local terms energy: -469.892980 where: bonds (distance) C4'-P energy: -90.367 bonds (distance) P-C4' energy: -95.532 flat angles C4'-P-C4' energy: -102.305 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -106.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1621.364708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.364708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.364708 (E_RNA) where: Base-Base interactions energy: -1153.419 where: short stacking energy: -459.011 Base-Backbone interact. energy: -0.720 local terms energy: -467.225128 where: bonds (distance) C4'-P energy: -96.146 bonds (distance) P-C4' energy: -89.279 flat angles C4'-P-C4' energy: -107.481 flat angles P-C4'-P energy: -59.309 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: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1471.212107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.212107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.212107 (E_RNA) where: Base-Base interactions energy: -1034.269 where: short stacking energy: -431.984 Base-Backbone interact. energy: -3.863 local terms energy: -433.079943 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -94.188 flat angles C4'-P-C4' energy: -99.914 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: -100.857 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: 197 Temperature: 1.050000 Total energy: -1472.583767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.583767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.583767 (E_RNA) where: Base-Base interactions energy: -1031.617 where: short stacking energy: -433.704 Base-Backbone interact. energy: -3.274 local terms energy: -437.693499 where: bonds (distance) C4'-P energy: -83.837 bonds (distance) P-C4' energy: -86.608 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -105.717 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: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1407.499311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.499311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.499311 (E_RNA) where: Base-Base interactions energy: -979.835 where: short stacking energy: -425.442 Base-Backbone interact. energy: -3.151 local terms energy: -424.513043 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -80.308 flat angles C4'-P-C4' energy: -93.417 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: -109.436 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: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1371.033608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.033608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.033608 (E_RNA) where: Base-Base interactions energy: -953.819 where: short stacking energy: -428.214 Base-Backbone interact. energy: 2.934 local terms energy: -420.148296 where: bonds (distance) C4'-P energy: -79.058 bonds (distance) P-C4' energy: -78.326 flat angles C4'-P-C4' energy: -96.653 flat angles P-C4'-P energy: -53.527 tors. eta vs tors. theta energy: -112.584 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: 197 Temperature: 1.200000 Total energy: -1268.788952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.788952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.788952 (E_RNA) where: Base-Base interactions energy: -861.348 where: short stacking energy: -370.030 Base-Backbone interact. energy: -1.769 local terms energy: -405.672518 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -97.369 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -93.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1063.476398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.476398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.476398 (E_RNA) where: Base-Base interactions energy: -710.151 where: short stacking energy: -315.970 Base-Backbone interact. energy: -0.880 local terms energy: -352.445099 where: bonds (distance) C4'-P energy: -70.176 bonds (distance) P-C4' energy: -76.827 flat angles C4'-P-C4' energy: -89.913 flat angles P-C4'-P energy: -50.517 tors. eta vs tors. theta energy: -65.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -849.551394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.551394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.551394 (E_RNA) where: Base-Base interactions energy: -533.400 where: short stacking energy: -250.868 Base-Backbone interact. energy: -1.884 local terms energy: -314.267499 where: bonds (distance) C4'-P energy: -66.994 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -68.920 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -32.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -651.203850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.203850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.203850 (E_RNA) where: Base-Base interactions energy: -356.684 where: short stacking energy: -176.646 Base-Backbone interact. energy: 0.308 local terms energy: -294.827318 where: bonds (distance) C4'-P energy: -80.797 bonds (distance) P-C4' energy: -74.939 flat angles C4'-P-C4' energy: -85.910 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -13.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1647.328547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.328547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.328547 (E_RNA) where: Base-Base interactions energy: -1158.476 where: short stacking energy: -485.445 Base-Backbone interact. energy: -0.796 local terms energy: -488.056349 where: bonds (distance) C4'-P energy: -93.889 bonds (distance) P-C4' energy: -101.461 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -70.515 tors. eta vs tors. theta energy: -113.932 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: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1625.420565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.420565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.420565 (E_RNA) where: Base-Base interactions energy: -1171.202 where: short stacking energy: -458.964 Base-Backbone interact. energy: 1.755 local terms energy: -455.972737 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -91.355 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -53.231 tors. eta vs tors. theta energy: -113.363 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: 198 Temperature: 1.000000 Total energy: -1524.334717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.334717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.334717 (E_RNA) where: Base-Base interactions energy: -1055.859 where: short stacking energy: -430.089 Base-Backbone interact. energy: -1.727 local terms energy: -466.748725 where: bonds (distance) C4'-P energy: -94.886 bonds (distance) P-C4' energy: -95.975 flat angles C4'-P-C4' energy: -97.910 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: -109.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1462.502747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.502747 (E_RNA) where: Base-Base interactions energy: -1006.182 where: short stacking energy: -444.857 Base-Backbone interact. energy: 4.921 local terms energy: -461.241583 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -78.288 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -71.188 tors. eta vs tors. theta energy: -124.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1411.180700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.180700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.180700 (E_RNA) where: Base-Base interactions energy: -966.494 where: short stacking energy: -428.456 Base-Backbone interact. energy: -3.163 local terms energy: -441.524120 where: bonds (distance) C4'-P energy: -86.021 bonds (distance) P-C4' energy: -87.807 flat angles C4'-P-C4' energy: -97.562 flat angles P-C4'-P energy: -59.476 tors. eta vs tors. theta energy: -110.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1339.264940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.264940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.264940 (E_RNA) where: Base-Base interactions energy: -954.717 where: short stacking energy: -400.862 Base-Backbone interact. energy: 0.612 local terms energy: -385.160888 where: bonds (distance) C4'-P energy: -62.701 bonds (distance) P-C4' energy: -76.895 flat angles C4'-P-C4' energy: -95.125 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -103.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1247.455941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.455941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.455941 (E_RNA) where: Base-Base interactions energy: -853.593 where: short stacking energy: -361.374 Base-Backbone interact. energy: -5.750 local terms energy: -388.112338 where: bonds (distance) C4'-P energy: -93.475 bonds (distance) P-C4' energy: -82.714 flat angles C4'-P-C4' energy: -82.053 flat angles P-C4'-P energy: -49.325 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: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1089.335316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.335316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.335316 (E_RNA) where: Base-Base interactions energy: -703.933 where: short stacking energy: -315.343 Base-Backbone interact. energy: 3.107 local terms energy: -388.508956 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -89.373 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -61.152 tors. eta vs tors. theta energy: -76.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -820.397695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.397695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.397695 (E_RNA) where: Base-Base interactions energy: -496.770 where: short stacking energy: -233.157 Base-Backbone interact. energy: 0.139 local terms energy: -323.766610 where: bonds (distance) C4'-P energy: -84.886 bonds (distance) P-C4' energy: -85.379 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -34.332 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: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -612.422306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.422306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.422306 (E_RNA) where: Base-Base interactions energy: -343.721 where: short stacking energy: -179.869 Base-Backbone interact. energy: 1.094 local terms energy: -269.795014 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -80.269 flat angles C4'-P-C4' energy: -83.095 flat angles P-C4'-P energy: -39.433 tors. eta vs tors. theta energy: -9.421 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: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1643.369873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.369873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.369873 (E_RNA) where: Base-Base interactions energy: -1150.954 where: short stacking energy: -465.627 Base-Backbone interact. energy: -0.034 local terms energy: -492.381480 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -101.351 flat angles C4'-P-C4' energy: -107.824 flat angles P-C4'-P energy: -69.399 tors. eta vs tors. theta energy: -108.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1630.303160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.303160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.303160 (E_RNA) where: Base-Base interactions energy: -1147.801 where: short stacking energy: -464.975 Base-Backbone interact. energy: -1.752 local terms energy: -480.750722 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -94.570 flat angles C4'-P-C4' energy: -101.075 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -128.197 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: 199 Temperature: 1.000000 Total energy: -1533.877925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.877925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.877925 (E_RNA) where: Base-Base interactions energy: -1068.303 where: short stacking energy: -441.803 Base-Backbone interact. energy: -2.869 local terms energy: -462.706123 where: bonds (distance) C4'-P energy: -94.792 bonds (distance) P-C4' energy: -78.512 flat angles C4'-P-C4' energy: -107.124 flat angles P-C4'-P energy: -66.959 tors. eta vs tors. theta energy: -115.319 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: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1427.956826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.956826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.956826 (E_RNA) where: Base-Base interactions energy: -975.238 where: short stacking energy: -421.310 Base-Backbone interact. energy: -0.611 local terms energy: -452.108047 where: bonds (distance) C4'-P energy: -78.089 bonds (distance) P-C4' energy: -94.766 flat angles C4'-P-C4' energy: -95.810 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: -122.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1403.370737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.370737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.370737 (E_RNA) where: Base-Base interactions energy: -946.624 where: short stacking energy: -420.574 Base-Backbone interact. energy: -4.027 local terms energy: -452.720027 where: bonds (distance) C4'-P energy: -79.466 bonds (distance) P-C4' energy: -90.858 flat angles C4'-P-C4' energy: -92.885 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -125.274 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: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1372.856966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.856966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.856966 (E_RNA) where: Base-Base interactions energy: -950.998 where: short stacking energy: -407.472 Base-Backbone interact. energy: -1.878 local terms energy: -419.981254 where: bonds (distance) C4'-P energy: -77.790 bonds (distance) P-C4' energy: -96.506 flat angles C4'-P-C4' energy: -85.276 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -106.427 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1231.996254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.996254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.996254 (E_RNA) where: Base-Base interactions energy: -855.804 where: short stacking energy: -361.187 Base-Backbone interact. energy: -1.898 local terms energy: -374.293979 where: bonds (distance) C4'-P energy: -79.336 bonds (distance) P-C4' energy: -77.574 flat angles C4'-P-C4' energy: -78.400 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -84.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1101.814947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.814947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.814947 (E_RNA) where: Base-Base interactions energy: -739.228 where: short stacking energy: -307.854 Base-Backbone interact. energy: -1.083 local terms energy: -361.504464 where: bonds (distance) C4'-P energy: -75.049 bonds (distance) P-C4' energy: -83.492 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -65.726 tors. eta vs tors. theta energy: -64.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -838.578985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.578985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.578985 (E_RNA) where: Base-Base interactions energy: -520.789 where: short stacking energy: -244.964 Base-Backbone interact. energy: -2.686 local terms energy: -315.104445 where: bonds (distance) C4'-P energy: -75.430 bonds (distance) P-C4' energy: -80.126 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -43.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -591.107288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.107288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.107288 (E_RNA) where: Base-Base interactions energy: -328.068 where: short stacking energy: -162.643 Base-Backbone interact. energy: -0.392 local terms energy: -262.646763 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -69.182 flat angles C4'-P-C4' energy: -70.392 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: 1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1652.869677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.869677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.869677 (E_RNA) where: Base-Base interactions energy: -1164.340 where: short stacking energy: -466.606 Base-Backbone interact. energy: -4.566 local terms energy: -483.963733 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -94.176 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -71.853 tors. eta vs tors. theta energy: -112.874 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: 200 Temperature: 0.950000 Total energy: -1647.026493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.026493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.026493 (E_RNA) where: Base-Base interactions energy: -1165.219 where: short stacking energy: -480.295 Base-Backbone interact. energy: -0.084 local terms energy: -481.724061 where: bonds (distance) C4'-P energy: -92.788 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -102.827 flat angles P-C4'-P energy: -74.406 tors. eta vs tors. theta energy: -125.374 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: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1544.212449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.212449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.212449 (E_RNA) where: Base-Base interactions energy: -1084.625 where: short stacking energy: -450.628 Base-Backbone interact. energy: -3.345 local terms energy: -456.243085 where: bonds (distance) C4'-P energy: -84.758 bonds (distance) P-C4' energy: -91.746 flat angles C4'-P-C4' energy: -96.942 flat angles P-C4'-P energy: -65.122 tors. eta vs tors. theta energy: -117.675 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: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1461.322389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.322389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.322389 (E_RNA) where: Base-Base interactions energy: -1008.797 where: short stacking energy: -424.763 Base-Backbone interact. energy: 2.194 local terms energy: -454.719613 where: bonds (distance) C4'-P energy: -97.900 bonds (distance) P-C4' energy: -89.245 flat angles C4'-P-C4' energy: -97.555 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -105.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1404.145494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.145494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.145494 (E_RNA) where: Base-Base interactions energy: -950.463 where: short stacking energy: -427.333 Base-Backbone interact. energy: -1.485 local terms energy: -452.197517 where: bonds (distance) C4'-P energy: -76.026 bonds (distance) P-C4' energy: -83.688 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: -128.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1358.384215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.384215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.384215 (E_RNA) where: Base-Base interactions energy: -961.931 where: short stacking energy: -394.167 Base-Backbone interact. energy: -1.050 local terms energy: -395.403678 where: bonds (distance) C4'-P energy: -63.829 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -94.326 flat angles P-C4'-P energy: -60.023 tors. eta vs tors. theta energy: -103.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1233.674151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.674151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.674151 (E_RNA) where: Base-Base interactions energy: -854.104 where: short stacking energy: -348.956 Base-Backbone interact. energy: -4.050 local terms energy: -375.520554 where: bonds (distance) C4'-P energy: -64.742 bonds (distance) P-C4' energy: -82.554 flat angles C4'-P-C4' energy: -71.538 flat angles P-C4'-P energy: -59.931 tors. eta vs tors. theta energy: -96.755 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: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1100.237191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.237191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.237191 (E_RNA) where: Base-Base interactions energy: -728.182 where: short stacking energy: -344.718 Base-Backbone interact. energy: -2.782 local terms energy: -369.272354 where: bonds (distance) C4'-P energy: -74.131 bonds (distance) P-C4' energy: -78.013 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -71.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -809.962785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.962785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.962785 (E_RNA) where: Base-Base interactions energy: -511.602 where: short stacking energy: -251.856 Base-Backbone interact. energy: 4.156 local terms energy: -302.516448 where: bonds (distance) C4'-P energy: -77.557 bonds (distance) P-C4' energy: -71.858 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -30.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -574.941887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.941887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.941887 (E_RNA) where: Base-Base interactions energy: -292.853 where: short stacking energy: -161.210 Base-Backbone interact. energy: 1.064 local terms energy: -283.153002 where: bonds (distance) C4'-P energy: -83.626 bonds (distance) P-C4' energy: -77.267 flat angles C4'-P-C4' energy: -69.375 flat angles P-C4'-P energy: -48.578 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1646.990901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.990901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.990901 (E_RNA) where: Base-Base interactions energy: -1169.286 where: short stacking energy: -459.051 Base-Backbone interact. energy: -3.436 local terms energy: -474.268264 where: bonds (distance) C4'-P energy: -97.200 bonds (distance) P-C4' energy: -87.953 flat angles C4'-P-C4' energy: -111.356 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -101.846 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: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1623.173736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.173736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.173736 (E_RNA) where: Base-Base interactions energy: -1145.370 where: short stacking energy: -455.401 Base-Backbone interact. energy: -2.563 local terms energy: -475.240515 where: bonds (distance) C4'-P energy: -89.525 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -74.661 tors. eta vs tors. theta energy: -114.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1548.825119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.825119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.825119 (E_RNA) where: Base-Base interactions energy: -1091.632 where: short stacking energy: -434.451 Base-Backbone interact. energy: -5.919 local terms energy: -451.273750 where: bonds (distance) C4'-P energy: -84.021 bonds (distance) P-C4' energy: -85.474 flat angles C4'-P-C4' energy: -100.873 flat angles P-C4'-P energy: -69.996 tors. eta vs tors. theta energy: -110.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1473.961533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.961533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.961533 (E_RNA) where: Base-Base interactions energy: -1022.513 where: short stacking energy: -419.009 Base-Backbone interact. energy: -2.550 local terms energy: -448.898084 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -81.388 flat angles C4'-P-C4' energy: -101.757 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -114.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1442.471337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.471337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.471337 (E_RNA) where: Base-Base interactions energy: -982.731 where: short stacking energy: -444.358 Base-Backbone interact. energy: -1.174 local terms energy: -458.565838 where: bonds (distance) C4'-P energy: -76.173 bonds (distance) P-C4' energy: -88.021 flat angles C4'-P-C4' energy: -95.290 flat angles P-C4'-P energy: -68.617 tors. eta vs tors. theta energy: -130.464 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1394.842429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.842429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.842429 (E_RNA) where: Base-Base interactions energy: -981.249 where: short stacking energy: -413.660 Base-Backbone interact. energy: -0.471 local terms energy: -413.122485 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -73.909 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -105.639 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: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1192.224198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.224198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.224198 (E_RNA) where: Base-Base interactions energy: -834.939 where: short stacking energy: -356.995 Base-Backbone interact. energy: 2.191 local terms energy: -359.476792 where: bonds (distance) C4'-P energy: -81.366 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -85.626 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -74.834 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: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1101.700392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.700392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.700392 (E_RNA) where: Base-Base interactions energy: -739.376 where: short stacking energy: -308.722 Base-Backbone interact. energy: -1.843 local terms energy: -360.481964 where: bonds (distance) C4'-P energy: -89.606 bonds (distance) P-C4' energy: -78.906 flat angles C4'-P-C4' energy: -77.681 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -68.106 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: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -857.683216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.683216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.683216 (E_RNA) where: Base-Base interactions energy: -547.549 where: short stacking energy: -238.266 Base-Backbone interact. energy: 0.017 local terms energy: -310.151609 where: bonds (distance) C4'-P energy: -85.335 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -53.199 flat angles P-C4'-P energy: -56.097 tors. eta vs tors. theta energy: -44.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -601.521865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.521865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.521865 (E_RNA) where: Base-Base interactions energy: -306.671 where: short stacking energy: -153.625 Base-Backbone interact. energy: 8.006 local terms energy: -302.856765 where: bonds (distance) C4'-P energy: -84.272 bonds (distance) P-C4' energy: -92.112 flat angles C4'-P-C4' energy: -80.536 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -7.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1655.605233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.605233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.605233 (E_RNA) where: Base-Base interactions energy: -1169.461 where: short stacking energy: -478.371 Base-Backbone interact. energy: 5.173 local terms energy: -491.317096 where: bonds (distance) C4'-P energy: -87.908 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -117.037 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -131.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1622.813001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.813001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.813001 (E_RNA) where: Base-Base interactions energy: -1175.551 where: short stacking energy: -474.410 Base-Backbone interact. energy: 1.004 local terms energy: -448.266275 where: bonds (distance) C4'-P energy: -78.029 bonds (distance) P-C4' energy: -93.072 flat angles C4'-P-C4' energy: -88.419 flat angles P-C4'-P energy: -67.781 tors. eta vs tors. theta energy: -120.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1511.198037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.198037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.198037 (E_RNA) where: Base-Base interactions energy: -1061.023 where: short stacking energy: -448.658 Base-Backbone interact. energy: -4.462 local terms energy: -445.713769 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -107.129 flat angles P-C4'-P energy: -67.074 tors. eta vs tors. theta energy: -106.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1477.482074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.482074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.482074 (E_RNA) where: Base-Base interactions energy: -1055.071 where: short stacking energy: -424.497 Base-Backbone interact. energy: 1.193 local terms energy: -423.604399 where: bonds (distance) C4'-P energy: -81.388 bonds (distance) P-C4' energy: -73.751 flat angles C4'-P-C4' energy: -89.628 flat angles P-C4'-P energy: -71.316 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: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1445.432078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.432078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.432078 (E_RNA) where: Base-Base interactions energy: -986.988 where: short stacking energy: -434.894 Base-Backbone interact. energy: -3.344 local terms energy: -455.099487 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -82.941 flat angles C4'-P-C4' energy: -99.710 flat angles P-C4'-P energy: -68.731 tors. eta vs tors. theta energy: -124.602 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: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1359.620873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.620873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.620873 (E_RNA) where: Base-Base interactions energy: -953.164 where: short stacking energy: -393.006 Base-Backbone interact. energy: -2.686 local terms energy: -403.771063 where: bonds (distance) C4'-P energy: -80.850 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -88.462 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: -91.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1159.755386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.755386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.755386 (E_RNA) where: Base-Base interactions energy: -784.042 where: short stacking energy: -332.266 Base-Backbone interact. energy: -2.408 local terms energy: -373.306059 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -84.060 flat angles C4'-P-C4' energy: -78.490 flat angles P-C4'-P energy: -58.084 tors. eta vs tors. theta energy: -67.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1097.524069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.524069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.524069 (E_RNA) where: Base-Base interactions energy: -734.303 where: short stacking energy: -309.993 Base-Backbone interact. energy: -2.858 local terms energy: -360.363010 where: bonds (distance) C4'-P energy: -78.546 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -74.815 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: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -881.524243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.524243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.524243 (E_RNA) where: Base-Base interactions energy: -533.501 where: short stacking energy: -233.055 Base-Backbone interact. energy: -2.866 local terms energy: -345.156881 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -44.206 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: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -669.240775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.240775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.240775 (E_RNA) where: Base-Base interactions energy: -378.067 where: short stacking energy: -187.055 Base-Backbone interact. energy: -0.479 local terms energy: -290.694239 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -73.008 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -50.073 tors. eta vs tors. theta energy: -9.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1663.562542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.562542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.562542 (E_RNA) where: Base-Base interactions energy: -1171.848 where: short stacking energy: -462.053 Base-Backbone interact. energy: 1.782 local terms energy: -493.497148 where: bonds (distance) C4'-P energy: -92.460 bonds (distance) P-C4' energy: -98.633 flat angles C4'-P-C4' energy: -103.115 flat angles P-C4'-P energy: -74.559 tors. eta vs tors. theta energy: -124.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1649.429313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.429313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.429313 (E_RNA) where: Base-Base interactions energy: -1179.377 where: short stacking energy: -465.074 Base-Backbone interact. energy: -5.331 local terms energy: -464.721913 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -97.645 flat angles C4'-P-C4' energy: -104.947 flat angles P-C4'-P energy: -65.512 tors. eta vs tors. theta energy: -108.834 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: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1484.332197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.332197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.332197 (E_RNA) where: Base-Base interactions energy: -1029.153 where: short stacking energy: -451.232 Base-Backbone interact. energy: 1.810 local terms energy: -456.989771 where: bonds (distance) C4'-P energy: -83.126 bonds (distance) P-C4' energy: -87.904 flat angles C4'-P-C4' energy: -101.889 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -121.878 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1487.085735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.085735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.085735 (E_RNA) where: Base-Base interactions energy: -1042.870 where: short stacking energy: -421.254 Base-Backbone interact. energy: 0.328 local terms energy: -444.543594 where: bonds (distance) C4'-P energy: -98.355 bonds (distance) P-C4' energy: -91.866 flat angles C4'-P-C4' energy: -90.488 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -108.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1446.647487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.647487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.647487 (E_RNA) where: Base-Base interactions energy: -983.510 where: short stacking energy: -443.422 Base-Backbone interact. energy: -1.593 local terms energy: -461.544399 where: bonds (distance) C4'-P energy: -84.505 bonds (distance) P-C4' energy: -80.243 flat angles C4'-P-C4' energy: -98.682 flat angles P-C4'-P energy: -67.453 tors. eta vs tors. theta energy: -130.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1416.803011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.803011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.803011 (E_RNA) where: Base-Base interactions energy: -1007.771 where: short stacking energy: -387.509 Base-Backbone interact. energy: -3.067 local terms energy: -405.964819 where: bonds (distance) C4'-P energy: -84.920 bonds (distance) P-C4' energy: -82.126 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: -93.287 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: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1177.675405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.675405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.675405 (E_RNA) where: Base-Base interactions energy: -798.975 where: short stacking energy: -337.534 Base-Backbone interact. energy: -0.505 local terms energy: -378.195021 where: bonds (distance) C4'-P energy: -80.915 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -71.623 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1105.976232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.976232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.976232 (E_RNA) where: Base-Base interactions energy: -764.720 where: short stacking energy: -339.207 Base-Backbone interact. energy: -1.718 local terms energy: -339.538155 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: -77.655 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: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -812.972043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.972043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.972043 (E_RNA) where: Base-Base interactions energy: -522.216 where: short stacking energy: -212.178 Base-Backbone interact. energy: -0.643 local terms energy: -290.113415 where: bonds (distance) C4'-P energy: -70.813 bonds (distance) P-C4' energy: -78.172 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -32.241 tors. eta vs tors. theta energy: -33.533 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: 203 Temperature: 1.350000 Total energy: -715.346071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.346071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.346071 (E_RNA) where: Base-Base interactions energy: -419.810 where: short stacking energy: -191.663 Base-Backbone interact. energy: 0.148 local terms energy: -295.683690 where: bonds (distance) C4'-P energy: -72.654 bonds (distance) P-C4' energy: -82.044 flat angles C4'-P-C4' energy: -71.428 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -29.721 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: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1698.049406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.049406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.049406 (E_RNA) where: Base-Base interactions energy: -1190.080 where: short stacking energy: -467.228 Base-Backbone interact. energy: 1.023 local terms energy: -508.992835 where: bonds (distance) C4'-P energy: -100.888 bonds (distance) P-C4' energy: -91.642 flat angles C4'-P-C4' energy: -112.674 flat angles P-C4'-P energy: -80.250 tors. eta vs tors. theta energy: -123.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1620.863053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.863053 (E_RNA) where: Base-Base interactions energy: -1142.379 where: short stacking energy: -469.182 Base-Backbone interact. energy: -4.434 local terms energy: -474.049997 where: bonds (distance) C4'-P energy: -98.107 bonds (distance) P-C4' energy: -82.275 flat angles C4'-P-C4' energy: -105.295 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -119.673 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: 204 Temperature: 1.000000 Total energy: -1532.025594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.025594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.025594 (E_RNA) where: Base-Base interactions energy: -1060.011 where: short stacking energy: -436.477 Base-Backbone interact. energy: -4.760 local terms energy: -467.254677 where: bonds (distance) C4'-P energy: -96.357 bonds (distance) P-C4' energy: -93.040 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: -108.726 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: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1449.906963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.906963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.906963 (E_RNA) where: Base-Base interactions energy: -1009.991 where: short stacking energy: -417.744 Base-Backbone interact. energy: -3.370 local terms energy: -436.546176 where: bonds (distance) C4'-P energy: -75.775 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -113.506 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: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1448.446328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.446328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.446328 (E_RNA) where: Base-Base interactions energy: -999.928 where: short stacking energy: -443.063 Base-Backbone interact. energy: -2.520 local terms energy: -445.998044 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -73.415 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -126.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1406.741187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.741187 (E_RNA) where: Base-Base interactions energy: -984.557 where: short stacking energy: -379.097 Base-Backbone interact. energy: -6.595 local terms energy: -415.589009 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -85.548 flat angles C4'-P-C4' energy: -94.325 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -107.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1202.914134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.914134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.914134 (E_RNA) where: Base-Base interactions energy: -812.290 where: short stacking energy: -352.663 Base-Backbone interact. energy: -0.849 local terms energy: -389.774790 where: bonds (distance) C4'-P energy: -86.098 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -51.863 tors. eta vs tors. theta energy: -79.563 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: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1198.474906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.474906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.474906 (E_RNA) where: Base-Base interactions energy: -803.038 where: short stacking energy: -330.053 Base-Backbone interact. energy: -2.325 local terms energy: -393.111728 where: bonds (distance) C4'-P energy: -76.648 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -87.974 flat angles P-C4'-P energy: -62.906 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: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -857.280300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.280300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.280300 (E_RNA) where: Base-Base interactions energy: -551.669 where: short stacking energy: -245.938 Base-Backbone interact. energy: -1.781 local terms energy: -303.830148 where: bonds (distance) C4'-P energy: -77.939 bonds (distance) P-C4' energy: -69.972 flat angles C4'-P-C4' energy: -77.961 flat angles P-C4'-P energy: -34.696 tors. eta vs tors. theta energy: -43.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -696.524602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.524602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.524602 (E_RNA) where: Base-Base interactions energy: -402.935 where: short stacking energy: -208.825 Base-Backbone interact. energy: -2.261 local terms energy: -291.328735 where: bonds (distance) C4'-P energy: -71.262 bonds (distance) P-C4' energy: -87.409 flat angles C4'-P-C4' energy: -59.758 flat angles P-C4'-P energy: -37.546 tors. eta vs tors. theta energy: -35.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1680.177938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.177938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.177938 (E_RNA) where: Base-Base interactions energy: -1189.560 where: short stacking energy: -481.671 Base-Backbone interact. energy: -3.292 local terms energy: -487.325578 where: bonds (distance) C4'-P energy: -95.828 bonds (distance) P-C4' energy: -90.486 flat angles C4'-P-C4' energy: -100.788 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -126.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1610.424418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.424418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.424418 (E_RNA) where: Base-Base interactions energy: -1141.892 where: short stacking energy: -449.737 Base-Backbone interact. energy: -3.359 local terms energy: -465.173982 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -98.426 flat angles C4'-P-C4' energy: -106.545 flat angles P-C4'-P energy: -68.772 tors. eta vs tors. theta energy: -106.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1516.593009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.593009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.593009 (E_RNA) where: Base-Base interactions energy: -1042.328 where: short stacking energy: -420.889 Base-Backbone interact. energy: -3.277 local terms energy: -470.988281 where: bonds (distance) C4'-P energy: -89.094 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -102.034 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -108.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1481.877531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.877531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.877531 (E_RNA) where: Base-Base interactions energy: -1011.884 where: short stacking energy: -453.460 Base-Backbone interact. energy: -3.610 local terms energy: -466.383042 where: bonds (distance) C4'-P energy: -71.550 bonds (distance) P-C4' energy: -88.844 flat angles C4'-P-C4' energy: -95.985 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -138.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1402.610130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.610130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.610130 (E_RNA) where: Base-Base interactions energy: -966.809 where: short stacking energy: -391.080 Base-Backbone interact. energy: -0.429 local terms energy: -435.371468 where: bonds (distance) C4'-P energy: -76.292 bonds (distance) P-C4' energy: -94.176 flat angles C4'-P-C4' energy: -94.385 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -108.459 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: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1397.376604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.376604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.376604 (E_RNA) where: Base-Base interactions energy: -979.378 where: short stacking energy: -389.564 Base-Backbone interact. energy: 4.952 local terms energy: -422.950147 where: bonds (distance) C4'-P energy: -89.747 bonds (distance) P-C4' energy: -86.459 flat angles C4'-P-C4' energy: -100.034 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -92.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1188.716650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.716650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.716650 (E_RNA) where: Base-Base interactions energy: -819.094 where: short stacking energy: -335.720 Base-Backbone interact. energy: -1.672 local terms energy: -367.950108 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -71.778 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: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1201.347455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.347455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.347455 (E_RNA) where: Base-Base interactions energy: -820.875 where: short stacking energy: -344.360 Base-Backbone interact. energy: -3.061 local terms energy: -377.411605 where: bonds (distance) C4'-P energy: -73.571 bonds (distance) P-C4' energy: -85.101 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -48.143 tors. eta vs tors. theta energy: -83.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -829.164390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.164390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.164390 (E_RNA) where: Base-Base interactions energy: -499.069 where: short stacking energy: -218.311 Base-Backbone interact. energy: -1.936 local terms energy: -328.160104 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -67.147 flat angles P-C4'-P energy: -57.345 tors. eta vs tors. theta energy: -36.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -656.022859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.022859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.022859 (E_RNA) where: Base-Base interactions energy: -374.239 where: short stacking energy: -183.729 Base-Backbone interact. energy: -2.616 local terms energy: -279.168218 where: bonds (distance) C4'-P energy: -69.987 bonds (distance) P-C4' energy: -77.277 flat angles C4'-P-C4' energy: -65.860 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1709.760099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.760099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.760099 (E_RNA) where: Base-Base interactions energy: -1216.827 where: short stacking energy: -454.413 Base-Backbone interact. energy: -4.303 local terms energy: -488.630819 where: bonds (distance) C4'-P energy: -90.592 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -104.363 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -124.808 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: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1647.475885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.475885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.475885 (E_RNA) where: Base-Base interactions energy: -1171.531 where: short stacking energy: -456.018 Base-Backbone interact. energy: -2.792 local terms energy: -473.152839 where: bonds (distance) C4'-P energy: -89.347 bonds (distance) P-C4' energy: -92.998 flat angles C4'-P-C4' energy: -99.355 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -121.387 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: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1531.416120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.416120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.416120 (E_RNA) where: Base-Base interactions energy: -1033.539 where: short stacking energy: -460.602 Base-Backbone interact. energy: -1.159 local terms energy: -496.718097 where: bonds (distance) C4'-P energy: -85.634 bonds (distance) P-C4' energy: -98.281 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -141.807 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1446.502899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.502899 (E_RNA) where: Base-Base interactions energy: -994.949 where: short stacking energy: -421.223 Base-Backbone interact. energy: -1.436 local terms energy: -450.117680 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -90.689 flat angles C4'-P-C4' energy: -103.026 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -103.696 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1421.010126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.010126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.010126 (E_RNA) where: Base-Base interactions energy: -1001.362 where: short stacking energy: -422.467 Base-Backbone interact. energy: 1.174 local terms energy: -420.822345 where: bonds (distance) C4'-P energy: -86.745 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -109.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1407.267373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.267373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.267373 (E_RNA) where: Base-Base interactions energy: -967.052 where: short stacking energy: -415.711 Base-Backbone interact. energy: -3.753 local terms energy: -436.462762 where: bonds (distance) C4'-P energy: -88.516 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -54.781 tors. eta vs tors. theta energy: -120.842 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: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1220.404953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.404953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.404953 (E_RNA) where: Base-Base interactions energy: -816.368 where: short stacking energy: -354.117 Base-Backbone interact. energy: -0.835 local terms energy: -403.201708 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -83.836 flat angles C4'-P-C4' energy: -90.477 flat angles P-C4'-P energy: -57.752 tors. eta vs tors. theta energy: -90.393 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: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1144.836422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.836422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.836422 (E_RNA) where: Base-Base interactions energy: -785.759 where: short stacking energy: -308.436 Base-Backbone interact. energy: -4.382 local terms energy: -354.695132 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -83.014 flat angles C4'-P-C4' energy: -85.631 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -62.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -867.860404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.860404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.860404 (E_RNA) where: Base-Base interactions energy: -567.367 where: short stacking energy: -269.493 Base-Backbone interact. energy: -1.939 local terms energy: -298.554776 where: bonds (distance) C4'-P energy: -77.037 bonds (distance) P-C4' energy: -69.727 flat angles C4'-P-C4' energy: -59.048 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -45.828 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: 206 Temperature: 1.350000 Total energy: -607.427688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.427688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.427688 (E_RNA) where: Base-Base interactions energy: -317.995 where: short stacking energy: -177.102 Base-Backbone interact. energy: -2.316 local terms energy: -287.116623 where: bonds (distance) C4'-P energy: -77.379 bonds (distance) P-C4' energy: -88.789 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -41.111 tors. eta vs tors. theta energy: -10.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1686.640803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.640803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.640803 (E_RNA) where: Base-Base interactions energy: -1180.641 where: short stacking energy: -485.517 Base-Backbone interact. energy: 2.466 local terms energy: -508.466190 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -100.665 flat angles C4'-P-C4' energy: -106.381 flat angles P-C4'-P energy: -67.127 tors. eta vs tors. theta energy: -134.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1654.302198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.302198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.302198 (E_RNA) where: Base-Base interactions energy: -1185.534 where: short stacking energy: -464.521 Base-Backbone interact. energy: -1.943 local terms energy: -466.825404 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -101.535 flat angles P-C4'-P energy: -68.733 tors. eta vs tors. theta energy: -115.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1538.118339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.118339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.118339 (E_RNA) where: Base-Base interactions energy: -1050.668 where: short stacking energy: -476.176 Base-Backbone interact. energy: -2.261 local terms energy: -485.189539 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -132.746 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: 207 Temperature: 1.050000 Total energy: -1428.081531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.081531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.081531 (E_RNA) where: Base-Base interactions energy: -997.759 where: short stacking energy: -408.274 Base-Backbone interact. energy: 4.740 local terms energy: -435.062989 where: bonds (distance) C4'-P energy: -83.368 bonds (distance) P-C4' energy: -80.445 flat angles C4'-P-C4' energy: -102.891 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -105.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1373.501262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.501262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.501262 (E_RNA) where: Base-Base interactions energy: -929.173 where: short stacking energy: -376.450 Base-Backbone interact. energy: -1.437 local terms energy: -442.891277 where: bonds (distance) C4'-P energy: -89.141 bonds (distance) P-C4' energy: -98.367 flat angles C4'-P-C4' energy: -89.265 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: -106.852 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: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1447.753758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.753758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.753758 (E_RNA) where: Base-Base interactions energy: -1007.013 where: short stacking energy: -413.637 Base-Backbone interact. energy: -2.925 local terms energy: -437.815352 where: bonds (distance) C4'-P energy: -83.150 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -93.629 flat angles P-C4'-P energy: -49.934 tors. eta vs tors. theta energy: -114.526 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: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1235.637767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.637767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.637767 (E_RNA) where: Base-Base interactions energy: -808.974 where: short stacking energy: -330.869 Base-Backbone interact. energy: -2.369 local terms energy: -424.294767 where: bonds (distance) C4'-P energy: -86.379 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -98.600 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -93.809 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: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1162.306895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.306895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.306895 (E_RNA) where: Base-Base interactions energy: -789.822 where: short stacking energy: -338.042 Base-Backbone interact. energy: -1.262 local terms energy: -371.223481 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -80.280 flat angles C4'-P-C4' energy: -89.694 flat angles P-C4'-P energy: -52.012 tors. eta vs tors. theta energy: -73.461 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: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -906.564877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.564877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.564877 (E_RNA) where: Base-Base interactions energy: -579.048 where: short stacking energy: -265.924 Base-Backbone interact. energy: -2.599 local terms energy: -324.918070 where: bonds (distance) C4'-P energy: -65.363 bonds (distance) P-C4' energy: -76.738 flat angles C4'-P-C4' energy: -82.369 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -48.011 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: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -617.012542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.012542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.012542 (E_RNA) where: Base-Base interactions energy: -299.340 where: short stacking energy: -175.994 Base-Backbone interact. energy: -0.082 local terms energy: -317.590901 where: bonds (distance) C4'-P energy: -63.252 bonds (distance) P-C4' energy: -76.503 flat angles C4'-P-C4' energy: -82.247 flat angles P-C4'-P energy: -60.695 tors. eta vs tors. theta energy: -34.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1696.771926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.771926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.771926 (E_RNA) where: Base-Base interactions energy: -1182.793 where: short stacking energy: -465.003 Base-Backbone interact. energy: -3.916 local terms energy: -510.062078 where: bonds (distance) C4'-P energy: -103.284 bonds (distance) P-C4' energy: -103.015 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -76.999 tors. eta vs tors. theta energy: -120.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1672.988410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.988410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.988410 (E_RNA) where: Base-Base interactions energy: -1210.142 where: short stacking energy: -468.713 Base-Backbone interact. energy: -1.629 local terms energy: -461.216813 where: bonds (distance) C4'-P energy: -86.437 bonds (distance) P-C4' energy: -84.849 flat angles C4'-P-C4' energy: -106.222 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: -117.329 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: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1548.315968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.315968 (E_RNA) where: Base-Base interactions energy: -1055.312 where: short stacking energy: -504.165 Base-Backbone interact. energy: -1.075 local terms energy: -491.929092 where: bonds (distance) C4'-P energy: -84.387 bonds (distance) P-C4' energy: -96.082 flat angles C4'-P-C4' energy: -95.881 flat angles P-C4'-P energy: -70.303 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: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1452.984485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.984485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.984485 (E_RNA) where: Base-Base interactions energy: -984.107 where: short stacking energy: -396.313 Base-Backbone interact. energy: 2.607 local terms energy: -471.484527 where: bonds (distance) C4'-P energy: -84.847 bonds (distance) P-C4' energy: -102.456 flat angles C4'-P-C4' energy: -112.761 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -104.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1418.680361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.680361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.680361 (E_RNA) where: Base-Base interactions energy: -959.710 where: short stacking energy: -419.985 Base-Backbone interact. energy: -1.310 local terms energy: -457.660292 where: bonds (distance) C4'-P energy: -88.359 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -94.230 flat angles P-C4'-P energy: -55.989 tors. eta vs tors. theta energy: -123.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1422.247096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.247096 (E_RNA) where: Base-Base interactions energy: -1006.617 where: short stacking energy: -423.876 Base-Backbone interact. energy: -1.133 local terms energy: -414.497126 where: bonds (distance) C4'-P energy: -92.414 bonds (distance) P-C4' energy: -98.833 flat angles C4'-P-C4' energy: -72.936 flat angles P-C4'-P energy: -54.267 tors. eta vs tors. theta energy: -96.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1248.028544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.028544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.028544 (E_RNA) where: Base-Base interactions energy: -853.240 where: short stacking energy: -359.262 Base-Backbone interact. energy: -2.631 local terms energy: -392.158015 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -95.231 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -90.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1129.284863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.284863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.284863 (E_RNA) where: Base-Base interactions energy: -775.010 where: short stacking energy: -327.821 Base-Backbone interact. energy: 0.724 local terms energy: -354.998920 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -76.461 flat angles C4'-P-C4' energy: -76.886 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -70.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -842.992725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.992725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.992725 (E_RNA) where: Base-Base interactions energy: -548.895 where: short stacking energy: -228.479 Base-Backbone interact. energy: -1.305 local terms energy: -292.792770 where: bonds (distance) C4'-P energy: -77.216 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -58.398 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -32.103 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: 208 Temperature: 1.350000 Total energy: -592.787177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.787177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.787177 (E_RNA) where: Base-Base interactions energy: -298.065 where: short stacking energy: -183.043 Base-Backbone interact. energy: 4.927 local terms energy: -299.649293 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -73.703 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -14.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1682.315131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.315131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.315131 (E_RNA) where: Base-Base interactions energy: -1186.334 where: short stacking energy: -485.212 Base-Backbone interact. energy: 4.817 local terms energy: -500.797734 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -90.219 flat angles C4'-P-C4' energy: -102.364 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -130.484 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: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1680.684819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.684819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.684819 (E_RNA) where: Base-Base interactions energy: -1210.500 where: short stacking energy: -457.218 Base-Backbone interact. energy: -1.313 local terms energy: -468.871980 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -92.320 flat angles C4'-P-C4' energy: -95.937 flat angles P-C4'-P energy: -67.922 tors. eta vs tors. theta energy: -121.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1545.727554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.727554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.727554 (E_RNA) where: Base-Base interactions energy: -1064.321 where: short stacking energy: -476.497 Base-Backbone interact. energy: 2.071 local terms energy: -483.477473 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -92.209 flat angles C4'-P-C4' energy: -107.078 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -140.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1414.501985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.501985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.501985 (E_RNA) where: Base-Base interactions energy: -976.429 where: short stacking energy: -427.382 Base-Backbone interact. energy: -4.227 local terms energy: -433.846031 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -95.502 flat angles C4'-P-C4' energy: -95.466 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -109.939 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: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1445.083225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.083225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.083225 (E_RNA) where: Base-Base interactions energy: -987.136 where: short stacking energy: -418.827 Base-Backbone interact. energy: -0.162 local terms energy: -457.785344 where: bonds (distance) C4'-P energy: -88.139 bonds (distance) P-C4' energy: -89.841 flat angles C4'-P-C4' energy: -108.323 flat angles P-C4'-P energy: -59.378 tors. eta vs tors. theta energy: -112.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1362.994203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.994203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.994203 (E_RNA) where: Base-Base interactions energy: -980.083 where: short stacking energy: -398.575 Base-Backbone interact. energy: -2.291 local terms energy: -380.620423 where: bonds (distance) C4'-P energy: -70.906 bonds (distance) P-C4' energy: -83.049 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -92.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1274.628613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.628613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.628613 (E_RNA) where: Base-Base interactions energy: -858.286 where: short stacking energy: -359.807 Base-Backbone interact. energy: -0.919 local terms energy: -415.423244 where: bonds (distance) C4'-P energy: -87.157 bonds (distance) P-C4' energy: -86.527 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -90.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1110.185697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.185697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.185697 (E_RNA) where: Base-Base interactions energy: -753.164 where: short stacking energy: -331.519 Base-Backbone interact. energy: 4.191 local terms energy: -361.212712 where: bonds (distance) C4'-P energy: -72.573 bonds (distance) P-C4' energy: -70.347 flat angles C4'-P-C4' energy: -93.236 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -87.645 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: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -856.071998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.071998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.071998 (E_RNA) where: Base-Base interactions energy: -532.055 where: short stacking energy: -265.485 Base-Backbone interact. energy: 0.152 local terms energy: -324.168647 where: bonds (distance) C4'-P energy: -68.859 bonds (distance) P-C4' energy: -87.400 flat angles C4'-P-C4' energy: -69.546 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -39.144 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: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -614.627965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.627965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.627965 (E_RNA) where: Base-Base interactions energy: -333.580 where: short stacking energy: -194.277 Base-Backbone interact. energy: -2.111 local terms energy: -278.936224 where: bonds (distance) C4'-P energy: -68.971 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -8.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1707.975103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.975103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.975103 (E_RNA) where: Base-Base interactions energy: -1242.982 where: short stacking energy: -469.278 Base-Backbone interact. energy: -3.530 local terms energy: -461.462837 where: bonds (distance) C4'-P energy: -84.182 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -119.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1626.614655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.614655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.614655 (E_RNA) where: Base-Base interactions energy: -1156.871 where: short stacking energy: -470.874 Base-Backbone interact. energy: -3.573 local terms energy: -466.170656 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -97.008 flat angles C4'-P-C4' energy: -94.690 flat angles P-C4'-P energy: -63.924 tors. eta vs tors. theta energy: -125.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1484.298508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.298508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.298508 (E_RNA) where: Base-Base interactions energy: -1017.113 where: short stacking energy: -427.485 Base-Backbone interact. energy: -5.207 local terms energy: -461.978127 where: bonds (distance) C4'-P energy: -84.875 bonds (distance) P-C4' energy: -98.606 flat angles C4'-P-C4' energy: -101.093 flat angles P-C4'-P energy: -72.204 tors. eta vs tors. theta energy: -105.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1533.869226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.869226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.869226 (E_RNA) where: Base-Base interactions energy: -1074.483 where: short stacking energy: -499.688 Base-Backbone interact. energy: -1.263 local terms energy: -458.122815 where: bonds (distance) C4'-P energy: -75.007 bonds (distance) P-C4' energy: -74.461 flat angles C4'-P-C4' energy: -100.125 flat angles P-C4'-P energy: -69.392 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: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1446.694035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.694035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.694035 (E_RNA) where: Base-Base interactions energy: -1002.456 where: short stacking energy: -422.855 Base-Backbone interact. energy: -4.166 local terms energy: -440.071572 where: bonds (distance) C4'-P energy: -88.669 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -81.079 flat angles P-C4'-P energy: -62.291 tors. eta vs tors. theta energy: -114.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1351.135364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.135364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.135364 (E_RNA) where: Base-Base interactions energy: -941.012 where: short stacking energy: -388.359 Base-Backbone interact. energy: -2.446 local terms energy: -407.677826 where: bonds (distance) C4'-P energy: -72.978 bonds (distance) P-C4' energy: -82.158 flat angles C4'-P-C4' energy: -89.572 flat angles P-C4'-P energy: -59.982 tors. eta vs tors. theta energy: -102.988 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: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1323.887052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.887052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.887052 (E_RNA) where: Base-Base interactions energy: -912.894 where: short stacking energy: -390.501 Base-Backbone interact. energy: 0.032 local terms energy: -411.025291 where: bonds (distance) C4'-P energy: -85.472 bonds (distance) P-C4' energy: -84.993 flat angles C4'-P-C4' energy: -93.472 flat angles P-C4'-P energy: -54.811 tors. eta vs tors. theta energy: -92.278 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1133.116857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.116857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.116857 (E_RNA) where: Base-Base interactions energy: -763.985 where: short stacking energy: -326.091 Base-Backbone interact. energy: 1.983 local terms energy: -371.114756 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -74.594 flat angles C4'-P-C4' energy: -89.338 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -81.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -956.847933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.847933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.847933 (E_RNA) where: Base-Base interactions energy: -608.783 where: short stacking energy: -287.555 Base-Backbone interact. energy: 4.214 local terms energy: -352.278959 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -86.689 flat angles C4'-P-C4' energy: -77.229 flat angles P-C4'-P energy: -56.074 tors. eta vs tors. theta energy: -60.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -549.393480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.393480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.393480 (E_RNA) where: Base-Base interactions energy: -321.837 where: short stacking energy: -160.407 Base-Backbone interact. energy: 0.267 local terms energy: -227.824172 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -54.277 flat angles C4'-P-C4' energy: -73.585 flat angles P-C4'-P energy: -45.236 tors. eta vs tors. theta energy: 10.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1734.173918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.173918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.173918 (E_RNA) where: Base-Base interactions energy: -1249.415 where: short stacking energy: -478.650 Base-Backbone interact. energy: -3.372 local terms energy: -481.387233 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -88.710 flat angles C4'-P-C4' energy: -102.390 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -121.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1634.315659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.315659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.315659 (E_RNA) where: Base-Base interactions energy: -1152.447 where: short stacking energy: -480.350 Base-Backbone interact. energy: 4.406 local terms energy: -486.275518 where: bonds (distance) C4'-P energy: -89.521 bonds (distance) P-C4' energy: -89.985 flat angles C4'-P-C4' energy: -104.362 flat angles P-C4'-P energy: -69.493 tors. eta vs tors. theta energy: -132.914 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: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1522.029856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.029856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.029856 (E_RNA) where: Base-Base interactions energy: -1058.991 where: short stacking energy: -457.646 Base-Backbone interact. energy: -3.159 local terms energy: -459.879759 where: bonds (distance) C4'-P energy: -88.543 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -102.862 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -110.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1494.505758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.505758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.505758 (E_RNA) where: Base-Base interactions energy: -1045.487 where: short stacking energy: -464.262 Base-Backbone interact. energy: -2.328 local terms energy: -446.691217 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -85.437 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -63.126 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: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1483.517453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.517453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.517453 (E_RNA) where: Base-Base interactions energy: -994.014 where: short stacking energy: -438.853 Base-Backbone interact. energy: -1.101 local terms energy: -488.402151 where: bonds (distance) C4'-P energy: -94.323 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -132.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1377.877603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.877603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.877603 (E_RNA) where: Base-Base interactions energy: -961.887 where: short stacking energy: -376.470 Base-Backbone interact. energy: -2.485 local terms energy: -413.506147 where: bonds (distance) C4'-P energy: -78.837 bonds (distance) P-C4' energy: -86.225 flat angles C4'-P-C4' energy: -95.686 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -106.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1288.143873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.143873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.143873 (E_RNA) where: Base-Base interactions energy: -908.467 where: short stacking energy: -389.292 Base-Backbone interact. energy: 1.632 local terms energy: -381.309303 where: bonds (distance) C4'-P energy: -78.723 bonds (distance) P-C4' energy: -76.932 flat angles C4'-P-C4' energy: -78.815 flat angles P-C4'-P energy: -58.571 tors. eta vs tors. theta energy: -88.269 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: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1184.021443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.021443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.021443 (E_RNA) where: Base-Base interactions energy: -792.888 where: short stacking energy: -348.028 Base-Backbone interact. energy: -1.788 local terms energy: -389.346210 where: bonds (distance) C4'-P energy: -78.070 bonds (distance) P-C4' energy: -92.112 flat angles C4'-P-C4' energy: -78.888 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -86.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -874.501575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.501575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.501575 (E_RNA) where: Base-Base interactions energy: -553.478 where: short stacking energy: -264.030 Base-Backbone interact. energy: -0.677 local terms energy: -320.346430 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -72.819 flat angles C4'-P-C4' energy: -73.729 flat angles P-C4'-P energy: -53.217 tors. eta vs tors. theta energy: -41.274 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: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -616.061759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.061759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.061759 (E_RNA) where: Base-Base interactions energy: -345.401 where: short stacking energy: -183.201 Base-Backbone interact. energy: 2.117 local terms energy: -272.778149 where: bonds (distance) C4'-P energy: -75.954 bonds (distance) P-C4' energy: -80.752 flat angles C4'-P-C4' energy: -59.084 flat angles P-C4'-P energy: -31.606 tors. eta vs tors. theta energy: -25.382 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: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1746.608156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.608156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.608156 (E_RNA) where: Base-Base interactions energy: -1246.394 where: short stacking energy: -484.745 Base-Backbone interact. energy: -3.887 local terms energy: -496.326547 where: bonds (distance) C4'-P energy: -94.705 bonds (distance) P-C4' energy: -95.833 flat angles C4'-P-C4' energy: -114.397 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -121.903 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: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1651.499652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.499652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.499652 (E_RNA) where: Base-Base interactions energy: -1178.788 where: short stacking energy: -472.162 Base-Backbone interact. energy: -4.300 local terms energy: -468.411110 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -84.548 flat angles C4'-P-C4' energy: -98.989 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -124.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1510.177147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.177147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.177147 (E_RNA) where: Base-Base interactions energy: -1054.724 where: short stacking energy: -451.298 Base-Backbone interact. energy: -1.599 local terms energy: -453.854414 where: bonds (distance) C4'-P energy: -74.951 bonds (distance) P-C4' energy: -87.813 flat angles C4'-P-C4' energy: -107.367 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: -115.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1520.034107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.034107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.034107 (E_RNA) where: Base-Base interactions energy: -1045.311 where: short stacking energy: -456.749 Base-Backbone interact. energy: -4.138 local terms energy: -470.585064 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -87.603 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -68.030 tors. eta vs tors. theta energy: -131.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1448.854155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.854155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.854155 (E_RNA) where: Base-Base interactions energy: -985.090 where: short stacking energy: -465.693 Base-Backbone interact. energy: -2.789 local terms energy: -460.975601 where: bonds (distance) C4'-P energy: -74.167 bonds (distance) P-C4' energy: -80.543 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -128.327 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: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1393.829894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.829894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.829894 (E_RNA) where: Base-Base interactions energy: -962.670 where: short stacking energy: -388.519 Base-Backbone interact. energy: -0.230 local terms energy: -430.929954 where: bonds (distance) C4'-P energy: -85.363 bonds (distance) P-C4' energy: -81.464 flat angles C4'-P-C4' energy: -92.185 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -106.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1337.254149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.254149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.254149 (E_RNA) where: Base-Base interactions energy: -928.224 where: short stacking energy: -391.788 Base-Backbone interact. energy: 2.783 local terms energy: -411.812813 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -92.070 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -56.677 tors. eta vs tors. theta energy: -100.397 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: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1148.284187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.284187 (E_RNA) where: Base-Base interactions energy: -757.773 where: short stacking energy: -327.161 Base-Backbone interact. energy: -0.329 local terms energy: -390.181599 where: bonds (distance) C4'-P energy: -75.042 bonds (distance) P-C4' energy: -83.510 flat angles C4'-P-C4' energy: -95.273 flat angles P-C4'-P energy: -46.767 tors. eta vs tors. theta energy: -89.590 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: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -837.362549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.362549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.362549 (E_RNA) where: Base-Base interactions energy: -504.525 where: short stacking energy: -214.072 Base-Backbone interact. energy: -1.866 local terms energy: -330.971662 where: bonds (distance) C4'-P energy: -72.138 bonds (distance) P-C4' energy: -83.034 flat angles C4'-P-C4' energy: -76.927 flat angles P-C4'-P energy: -49.221 tors. eta vs tors. theta energy: -49.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -605.859433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.859433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.859433 (E_RNA) where: Base-Base interactions energy: -327.652 where: short stacking energy: -191.826 Base-Backbone interact. energy: -1.511 local terms energy: -276.696329 where: bonds (distance) C4'-P energy: -55.598 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -15.723 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1713.127172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.127172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.127172 (E_RNA) where: Base-Base interactions energy: -1237.039 where: short stacking energy: -470.268 Base-Backbone interact. energy: -1.996 local terms energy: -474.093001 where: bonds (distance) C4'-P energy: -98.270 bonds (distance) P-C4' energy: -94.640 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -58.687 tors. eta vs tors. theta energy: -119.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1625.504532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.504532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.504532 (E_RNA) where: Base-Base interactions energy: -1133.349 where: short stacking energy: -448.999 Base-Backbone interact. energy: 0.380 local terms energy: -492.536140 where: bonds (distance) C4'-P energy: -97.089 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -106.866 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -119.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1503.121877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.121877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.121877 (E_RNA) where: Base-Base interactions energy: -1051.416 where: short stacking energy: -431.454 Base-Backbone interact. energy: -2.504 local terms energy: -449.201657 where: bonds (distance) C4'-P energy: -82.259 bonds (distance) P-C4' energy: -94.993 flat angles C4'-P-C4' energy: -100.536 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -108.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1481.017469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.017469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.017469 (E_RNA) where: Base-Base interactions energy: -1015.232 where: short stacking energy: -471.578 Base-Backbone interact. energy: -1.521 local terms energy: -464.263907 where: bonds (distance) C4'-P energy: -80.973 bonds (distance) P-C4' energy: -92.688 flat angles C4'-P-C4' energy: -98.550 flat angles P-C4'-P energy: -60.969 tors. eta vs tors. theta energy: -131.085 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: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1476.579100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.579100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.579100 (E_RNA) where: Base-Base interactions energy: -998.855 where: short stacking energy: -419.842 Base-Backbone interact. energy: -3.228 local terms energy: -474.496461 where: bonds (distance) C4'-P energy: -86.937 bonds (distance) P-C4' energy: -86.664 flat angles C4'-P-C4' energy: -100.639 flat angles P-C4'-P energy: -79.175 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: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1336.627871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.627871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.627871 (E_RNA) where: Base-Base interactions energy: -915.049 where: short stacking energy: -385.171 Base-Backbone interact. energy: 0.386 local terms energy: -421.965371 where: bonds (distance) C4'-P energy: -71.646 bonds (distance) P-C4' energy: -90.671 flat angles C4'-P-C4' energy: -97.842 flat angles P-C4'-P energy: -64.882 tors. eta vs tors. theta energy: -96.924 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: 213 Temperature: 1.200000 Total energy: -1372.731368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.731368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.731368 (E_RNA) where: Base-Base interactions energy: -952.742 where: short stacking energy: -385.133 Base-Backbone interact. energy: 0.974 local terms energy: -420.963531 where: bonds (distance) C4'-P energy: -102.059 bonds (distance) P-C4' energy: -74.153 flat angles C4'-P-C4' energy: -79.239 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -105.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1191.514204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.514204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.514204 (E_RNA) where: Base-Base interactions energy: -819.789 where: short stacking energy: -345.255 Base-Backbone interact. energy: -2.046 local terms energy: -369.679217 where: bonds (distance) C4'-P energy: -72.510 bonds (distance) P-C4' energy: -76.657 flat angles C4'-P-C4' energy: -94.003 flat angles P-C4'-P energy: -51.336 tors. eta vs tors. theta energy: -75.173 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: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -746.987199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.987199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.987199 (E_RNA) where: Base-Base interactions energy: -453.818 where: short stacking energy: -217.391 Base-Backbone interact. energy: -1.221 local terms energy: -291.947986 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -77.675 flat angles C4'-P-C4' energy: -68.442 flat angles P-C4'-P energy: -48.803 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -665.979355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.979355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.979355 (E_RNA) where: Base-Base interactions energy: -375.727 where: short stacking energy: -193.781 Base-Backbone interact. energy: 0.736 local terms energy: -290.987995 where: bonds (distance) C4'-P energy: -77.578 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: -19.701 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: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1707.840932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.840932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.840932 (E_RNA) where: Base-Base interactions energy: -1229.831 where: short stacking energy: -464.297 Base-Backbone interact. energy: -3.797 local terms energy: -474.213721 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -104.290 flat angles P-C4'-P energy: -66.378 tors. eta vs tors. theta energy: -117.239 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: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1620.211254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.211254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.211254 (E_RNA) where: Base-Base interactions energy: -1151.903 where: short stacking energy: -459.794 Base-Backbone interact. energy: 6.501 local terms energy: -474.809114 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -110.722 flat angles P-C4'-P energy: -76.357 tors. eta vs tors. theta energy: -123.189 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: 214 Temperature: 1.000000 Total energy: -1556.817161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.817161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.817161 (E_RNA) where: Base-Base interactions energy: -1065.526 where: short stacking energy: -453.904 Base-Backbone interact. energy: -3.893 local terms energy: -487.398089 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -105.862 flat angles C4'-P-C4' energy: -99.984 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -121.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1518.537285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.537285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.537285 (E_RNA) where: Base-Base interactions energy: -1046.306 where: short stacking energy: -468.247 Base-Backbone interact. energy: -2.924 local terms energy: -469.307203 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -87.914 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -70.160 tors. eta vs tors. theta energy: -123.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1424.278856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.278856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.278856 (E_RNA) where: Base-Base interactions energy: -987.015 where: short stacking energy: -416.732 Base-Backbone interact. energy: -1.523 local terms energy: -435.741366 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -92.564 flat angles C4'-P-C4' energy: -82.591 flat angles P-C4'-P energy: -60.226 tors. eta vs tors. theta energy: -123.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1310.868261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.868261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.868261 (E_RNA) where: Base-Base interactions energy: -903.785 where: short stacking energy: -361.703 Base-Backbone interact. energy: 3.363 local terms energy: -410.445852 where: bonds (distance) C4'-P energy: -90.853 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -84.718 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -94.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1352.321922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.321922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.321922 (E_RNA) where: Base-Base interactions energy: -953.115 where: short stacking energy: -385.564 Base-Backbone interact. energy: -2.518 local terms energy: -396.689730 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -91.380 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: -98.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1159.604121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.604121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.604121 (E_RNA) where: Base-Base interactions energy: -798.906 where: short stacking energy: -330.778 Base-Backbone interact. energy: -1.552 local terms energy: -359.146142 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -78.273 flat angles C4'-P-C4' energy: -89.310 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -68.083 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: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -820.646001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.646001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.646001 (E_RNA) where: Base-Base interactions energy: -483.462 where: short stacking energy: -243.858 Base-Backbone interact. energy: 4.745 local terms energy: -341.928216 where: bonds (distance) C4'-P energy: -81.952 bonds (distance) P-C4' energy: -86.557 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -46.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -656.230785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.230785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.230785 (E_RNA) where: Base-Base interactions energy: -395.625 where: short stacking energy: -206.986 Base-Backbone interact. energy: -1.580 local terms energy: -259.025601 where: bonds (distance) C4'-P energy: -70.770 bonds (distance) P-C4' energy: -67.464 flat angles C4'-P-C4' energy: -84.547 flat angles P-C4'-P energy: -29.691 tors. eta vs tors. theta energy: -6.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1677.350565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.350565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.350565 (E_RNA) where: Base-Base interactions energy: -1203.556 where: short stacking energy: -476.711 Base-Backbone interact. energy: -3.701 local terms energy: -470.093715 where: bonds (distance) C4'-P energy: -85.019 bonds (distance) P-C4' energy: -99.072 flat angles C4'-P-C4' energy: -104.109 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -113.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1639.256445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.256445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.256445 (E_RNA) where: Base-Base interactions energy: -1153.417 where: short stacking energy: -459.236 Base-Backbone interact. energy: 0.681 local terms energy: -486.520636 where: bonds (distance) C4'-P energy: -98.098 bonds (distance) P-C4' energy: -92.837 flat angles C4'-P-C4' energy: -102.775 flat angles P-C4'-P energy: -75.139 tors. eta vs tors. theta energy: -117.672 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: 215 Temperature: 1.000000 Total energy: -1518.163567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.163567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.163567 (E_RNA) where: Base-Base interactions energy: -1073.510 where: short stacking energy: -451.398 Base-Backbone interact. energy: 0.790 local terms energy: -445.443088 where: bonds (distance) C4'-P energy: -77.659 bonds (distance) P-C4' energy: -94.122 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -114.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1495.242859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.242859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.242859 (E_RNA) where: Base-Base interactions energy: -1024.095 where: short stacking energy: -463.209 Base-Backbone interact. energy: -1.120 local terms energy: -470.027595 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -96.334 flat angles C4'-P-C4' energy: -104.278 flat angles P-C4'-P energy: -48.307 tors. eta vs tors. theta energy: -134.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1415.541205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.541205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.541205 (E_RNA) where: Base-Base interactions energy: -979.108 where: short stacking energy: -410.972 Base-Backbone interact. energy: -2.975 local terms energy: -433.457753 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -87.011 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -112.167 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: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1376.587698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.587698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.587698 (E_RNA) where: Base-Base interactions energy: -958.593 where: short stacking energy: -404.781 Base-Backbone interact. energy: -0.799 local terms energy: -417.196016 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -96.887 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -99.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1354.905923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.905923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.905923 (E_RNA) where: Base-Base interactions energy: -941.927 where: short stacking energy: -401.550 Base-Backbone interact. energy: -2.356 local terms energy: -410.622850 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -81.275 flat angles C4'-P-C4' energy: -102.481 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -104.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1096.396762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.396762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.396762 (E_RNA) where: Base-Base interactions energy: -749.715 where: short stacking energy: -331.480 Base-Backbone interact. energy: -0.736 local terms energy: -345.945302 where: bonds (distance) C4'-P energy: -71.953 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -83.302 flat angles P-C4'-P energy: -51.980 tors. eta vs tors. theta energy: -64.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -819.659051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.659051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.659051 (E_RNA) where: Base-Base interactions energy: -503.412 where: short stacking energy: -230.293 Base-Backbone interact. energy: -0.259 local terms energy: -315.988293 where: bonds (distance) C4'-P energy: -83.800 bonds (distance) P-C4' energy: -84.283 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -43.860 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -651.308126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.308126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.308126 (E_RNA) where: Base-Base interactions energy: -359.058 where: short stacking energy: -191.360 Base-Backbone interact. energy: -0.625 local terms energy: -291.625230 where: bonds (distance) C4'-P energy: -76.901 bonds (distance) P-C4' energy: -77.400 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -10.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1683.971870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.971870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.971870 (E_RNA) where: Base-Base interactions energy: -1206.408 where: short stacking energy: -475.834 Base-Backbone interact. energy: -0.128 local terms energy: -477.436445 where: bonds (distance) C4'-P energy: -88.865 bonds (distance) P-C4' energy: -97.532 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -74.966 tors. eta vs tors. theta energy: -108.567 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: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1630.553086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.553086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.553086 (E_RNA) where: Base-Base interactions energy: -1140.837 where: short stacking energy: -464.176 Base-Backbone interact. energy: -0.858 local terms energy: -488.858471 where: bonds (distance) C4'-P energy: -91.374 bonds (distance) P-C4' energy: -96.471 flat angles C4'-P-C4' energy: -96.221 flat angles P-C4'-P energy: -73.107 tors. eta vs tors. theta energy: -131.685 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: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1540.571650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.571650 (E_RNA) where: Base-Base interactions energy: -1034.685 where: short stacking energy: -475.329 Base-Backbone interact. energy: -0.266 local terms energy: -505.620344 where: bonds (distance) C4'-P energy: -95.286 bonds (distance) P-C4' energy: -100.851 flat angles C4'-P-C4' energy: -106.697 flat angles P-C4'-P energy: -68.899 tors. eta vs tors. theta energy: -133.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1499.889685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.889685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.889685 (E_RNA) where: Base-Base interactions energy: -1055.923 where: short stacking energy: -439.154 Base-Backbone interact. energy: -4.542 local terms energy: -439.424885 where: bonds (distance) C4'-P energy: -90.135 bonds (distance) P-C4' energy: -85.000 flat angles C4'-P-C4' energy: -94.531 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -99.386 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: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1411.967073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.967073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.967073 (E_RNA) where: Base-Base interactions energy: -970.513 where: short stacking energy: -425.373 Base-Backbone interact. energy: 0.973 local terms energy: -442.426780 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -86.905 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -114.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1357.223999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.223999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.223999 (E_RNA) where: Base-Base interactions energy: -943.084 where: short stacking energy: -398.345 Base-Backbone interact. energy: 0.085 local terms energy: -414.224669 where: bonds (distance) C4'-P energy: -87.259 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -89.645 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -95.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1297.146746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.146746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.146746 (E_RNA) where: Base-Base interactions energy: -901.976 where: short stacking energy: -373.052 Base-Backbone interact. energy: -1.904 local terms energy: -393.267074 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -79.650 flat angles C4'-P-C4' energy: -74.969 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -94.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1125.815756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.815756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.815756 (E_RNA) where: Base-Base interactions energy: -756.880 where: short stacking energy: -313.503 Base-Backbone interact. energy: -1.248 local terms energy: -367.688097 where: bonds (distance) C4'-P energy: -76.840 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -82.866 flat angles P-C4'-P energy: -43.189 tors. eta vs tors. theta energy: -63.907 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: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -787.742564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.742564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.742564 (E_RNA) where: Base-Base interactions energy: -487.327 where: short stacking energy: -251.314 Base-Backbone interact. energy: 2.763 local terms energy: -303.178121 where: bonds (distance) C4'-P energy: -45.116 bonds (distance) P-C4' energy: -68.318 flat angles C4'-P-C4' energy: -92.832 flat angles P-C4'-P energy: -60.699 tors. eta vs tors. theta energy: -36.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -718.138724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.138724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.138724 (E_RNA) where: Base-Base interactions energy: -418.362 where: short stacking energy: -188.220 Base-Backbone interact. energy: 2.128 local terms energy: -301.904997 where: bonds (distance) C4'-P energy: -83.681 bonds (distance) P-C4' energy: -97.560 flat angles C4'-P-C4' energy: -69.263 flat angles P-C4'-P energy: -36.562 tors. eta vs tors. theta energy: -14.839 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: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1707.914698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.914698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.914698 (E_RNA) where: Base-Base interactions energy: -1212.866 where: short stacking energy: -468.582 Base-Backbone interact. energy: -0.913 local terms energy: -494.135734 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -99.022 flat angles C4'-P-C4' energy: -104.158 flat angles P-C4'-P energy: -81.060 tors. eta vs tors. theta energy: -112.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1651.938270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.938270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.938270 (E_RNA) where: Base-Base interactions energy: -1166.656 where: short stacking energy: -467.148 Base-Backbone interact. energy: 3.618 local terms energy: -488.900808 where: bonds (distance) C4'-P energy: -93.678 bonds (distance) P-C4' energy: -98.113 flat angles C4'-P-C4' energy: -98.681 flat angles P-C4'-P energy: -75.504 tors. eta vs tors. theta energy: -122.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1540.472249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.472249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.472249 (E_RNA) where: Base-Base interactions energy: -1051.637 where: short stacking energy: -471.912 Base-Backbone interact. energy: -0.505 local terms energy: -488.330563 where: bonds (distance) C4'-P energy: -95.769 bonds (distance) P-C4' energy: -94.207 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: -132.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1465.486350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.486350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.486350 (E_RNA) where: Base-Base interactions energy: -1031.936 where: short stacking energy: -428.202 Base-Backbone interact. energy: -1.782 local terms energy: -431.768737 where: bonds (distance) C4'-P energy: -82.411 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -90.377 flat angles P-C4'-P energy: -62.095 tors. eta vs tors. theta energy: -104.445 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: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1375.928171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.928171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.928171 (E_RNA) where: Base-Base interactions energy: -955.608 where: short stacking energy: -412.562 Base-Backbone interact. energy: -0.814 local terms energy: -419.506837 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -77.523 flat angles C4'-P-C4' energy: -87.646 flat angles P-C4'-P energy: -62.353 tors. eta vs tors. theta energy: -106.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1320.593751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.593751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.593751 (E_RNA) where: Base-Base interactions energy: -938.034 where: short stacking energy: -382.858 Base-Backbone interact. energy: -0.691 local terms energy: -381.869035 where: bonds (distance) C4'-P energy: -79.595 bonds (distance) P-C4' energy: -66.111 flat angles C4'-P-C4' energy: -91.121 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -79.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1318.585617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.585617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.585617 (E_RNA) where: Base-Base interactions energy: -921.625 where: short stacking energy: -393.352 Base-Backbone interact. energy: -4.036 local terms energy: -392.925028 where: bonds (distance) C4'-P energy: -73.196 bonds (distance) P-C4' energy: -68.223 flat angles C4'-P-C4' energy: -87.127 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -106.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1144.689231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.689231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.689231 (E_RNA) where: Base-Base interactions energy: -780.659 where: short stacking energy: -314.806 Base-Backbone interact. energy: -2.209 local terms energy: -361.822068 where: bonds (distance) C4'-P energy: -70.751 bonds (distance) P-C4' energy: -81.257 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -56.278 tors. eta vs tors. theta energy: -60.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -798.236605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.236605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.236605 (E_RNA) where: Base-Base interactions energy: -479.600 where: short stacking energy: -228.904 Base-Backbone interact. energy: 1.060 local terms energy: -319.696602 where: bonds (distance) C4'-P energy: -78.285 bonds (distance) P-C4' energy: -72.378 flat angles C4'-P-C4' energy: -83.208 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -38.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -648.709707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.709707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.709707 (E_RNA) where: Base-Base interactions energy: -367.958 where: short stacking energy: -189.894 Base-Backbone interact. energy: -0.095 local terms energy: -280.657332 where: bonds (distance) C4'-P energy: -63.083 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -69.412 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -26.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1718.219108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.219108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.219108 (E_RNA) where: Base-Base interactions energy: -1227.948 where: short stacking energy: -474.176 Base-Backbone interact. energy: -4.071 local terms energy: -486.199191 where: bonds (distance) C4'-P energy: -94.801 bonds (distance) P-C4' energy: -104.946 flat angles C4'-P-C4' energy: -103.652 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -117.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1655.024864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.024864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.024864 (E_RNA) where: Base-Base interactions energy: -1165.222 where: short stacking energy: -464.878 Base-Backbone interact. energy: -1.120 local terms energy: -488.682458 where: bonds (distance) C4'-P energy: -94.343 bonds (distance) P-C4' energy: -104.193 flat angles C4'-P-C4' energy: -91.040 flat angles P-C4'-P energy: -75.024 tors. eta vs tors. theta energy: -124.083 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: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1545.293412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.293412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.293412 (E_RNA) where: Base-Base interactions energy: -1043.038 where: short stacking energy: -488.040 Base-Backbone interact. energy: -0.659 local terms energy: -501.595670 where: bonds (distance) C4'-P energy: -81.596 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -109.654 flat angles P-C4'-P energy: -76.531 tors. eta vs tors. theta energy: -140.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1465.287278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.287278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.287278 (E_RNA) where: Base-Base interactions energy: -1041.407 where: short stacking energy: -428.160 Base-Backbone interact. energy: -3.058 local terms energy: -420.822695 where: bonds (distance) C4'-P energy: -83.801 bonds (distance) P-C4' energy: -98.520 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -88.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1421.890487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.890487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.890487 (E_RNA) where: Base-Base interactions energy: -989.159 where: short stacking energy: -418.419 Base-Backbone interact. energy: 2.987 local terms energy: -435.718892 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -81.330 flat angles C4'-P-C4' energy: -100.278 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -104.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1307.431679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.431679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.431679 (E_RNA) where: Base-Base interactions energy: -864.867 where: short stacking energy: -376.140 Base-Backbone interact. energy: -1.258 local terms energy: -441.306164 where: bonds (distance) C4'-P energy: -91.867 bonds (distance) P-C4' energy: -87.643 flat angles C4'-P-C4' energy: -89.133 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -103.137 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: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1264.741596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.741596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.741596 (E_RNA) where: Base-Base interactions energy: -857.331 where: short stacking energy: -358.312 Base-Backbone interact. energy: -1.073 local terms energy: -406.337295 where: bonds (distance) C4'-P energy: -82.894 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -87.404 flat angles P-C4'-P energy: -63.563 tors. eta vs tors. theta energy: -87.356 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: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1151.704657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.704657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.704657 (E_RNA) where: Base-Base interactions energy: -771.227 where: short stacking energy: -334.327 Base-Backbone interact. energy: -1.835 local terms energy: -378.641801 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -86.575 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -88.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -839.976749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.976749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.976749 (E_RNA) where: Base-Base interactions energy: -556.225 where: short stacking energy: -235.312 Base-Backbone interact. energy: 0.242 local terms energy: -283.994002 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -52.767 flat angles C4'-P-C4' energy: -78.183 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -29.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -640.158856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.158856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.158856 (E_RNA) where: Base-Base interactions energy: -359.663 where: short stacking energy: -180.730 Base-Backbone interact. energy: -0.156 local terms energy: -280.339264 where: bonds (distance) C4'-P energy: -85.421 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -74.108 flat angles P-C4'-P energy: -45.925 tors. eta vs tors. theta energy: -11.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1740.696621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.696621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.696621 (E_RNA) where: Base-Base interactions energy: -1255.333 where: short stacking energy: -483.532 Base-Backbone interact. energy: -4.290 local terms energy: -481.073422 where: bonds (distance) C4'-P energy: -78.757 bonds (distance) P-C4' energy: -102.619 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -119.695 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: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1636.693196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.693196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.693196 (E_RNA) where: Base-Base interactions energy: -1175.917 where: short stacking energy: -460.756 Base-Backbone interact. energy: 2.617 local terms energy: -463.393291 where: bonds (distance) C4'-P energy: -82.894 bonds (distance) P-C4' energy: -84.417 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -69.138 tors. eta vs tors. theta energy: -119.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1551.066104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.066104 (E_RNA) where: Base-Base interactions energy: -1077.323 where: short stacking energy: -498.961 Base-Backbone interact. energy: -0.092 local terms energy: -473.651723 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -88.277 flat angles C4'-P-C4' energy: -106.345 flat angles P-C4'-P energy: -58.785 tors. eta vs tors. theta energy: -142.219 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: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1471.609678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.609678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.609678 (E_RNA) where: Base-Base interactions energy: -1041.929 where: short stacking energy: -444.352 Base-Backbone interact. energy: -0.383 local terms energy: -429.298146 where: bonds (distance) C4'-P energy: -74.051 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -105.295 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -107.631 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: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1420.279215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.279215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.279215 (E_RNA) where: Base-Base interactions energy: -996.340 where: short stacking energy: -429.955 Base-Backbone interact. energy: -1.287 local terms energy: -422.652263 where: bonds (distance) C4'-P energy: -82.213 bonds (distance) P-C4' energy: -82.079 flat angles C4'-P-C4' energy: -86.228 flat angles P-C4'-P energy: -66.326 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: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1294.371900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.371900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.371900 (E_RNA) where: Base-Base interactions energy: -893.830 where: short stacking energy: -376.007 Base-Backbone interact. energy: -2.654 local terms energy: -397.888203 where: bonds (distance) C4'-P energy: -73.197 bonds (distance) P-C4' energy: -75.583 flat angles C4'-P-C4' energy: -88.793 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -104.360 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: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1281.782536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.782536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.782536 (E_RNA) where: Base-Base interactions energy: -884.010 where: short stacking energy: -387.788 Base-Backbone interact. energy: -2.064 local terms energy: -395.708090 where: bonds (distance) C4'-P energy: -77.631 bonds (distance) P-C4' energy: -75.677 flat angles C4'-P-C4' energy: -94.226 flat angles P-C4'-P energy: -57.281 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1143.773106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.773106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.773106 (E_RNA) where: Base-Base interactions energy: -750.138 where: short stacking energy: -320.206 Base-Backbone interact. energy: 0.920 local terms energy: -394.555436 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: -85.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -790.857014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.857014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.857014 (E_RNA) where: Base-Base interactions energy: -507.047 where: short stacking energy: -233.179 Base-Backbone interact. energy: 2.250 local terms energy: -286.060305 where: bonds (distance) C4'-P energy: -64.868 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -66.704 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: -32.354 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: 219 Temperature: 1.350000 Total energy: -658.097762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.097762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.097762 (E_RNA) where: Base-Base interactions energy: -385.609 where: short stacking energy: -190.739 Base-Backbone interact. energy: 2.909 local terms energy: -275.397361 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -73.067 flat angles C4'-P-C4' energy: -63.911 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -11.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1720.149323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.149323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.149323 (E_RNA) where: Base-Base interactions energy: -1231.045 where: short stacking energy: -473.288 Base-Backbone interact. energy: -2.589 local terms energy: -486.515309 where: bonds (distance) C4'-P energy: -101.834 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -70.829 tors. eta vs tors. theta energy: -115.514 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: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1643.412413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.412413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.412413 (E_RNA) where: Base-Base interactions energy: -1171.775 where: short stacking energy: -470.061 Base-Backbone interact. energy: -2.195 local terms energy: -469.442626 where: bonds (distance) C4'-P energy: -88.007 bonds (distance) P-C4' energy: -97.182 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -120.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1553.692182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.692182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.692182 (E_RNA) where: Base-Base interactions energy: -1061.940 where: short stacking energy: -479.026 Base-Backbone interact. energy: -3.512 local terms energy: -488.240268 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -92.843 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -67.302 tors. eta vs tors. theta energy: -143.093 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: 220 Temperature: 1.050000 Total energy: -1462.744174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.744174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.744174 (E_RNA) where: Base-Base interactions energy: -1022.391 where: short stacking energy: -431.544 Base-Backbone interact. energy: -1.548 local terms energy: -438.805039 where: bonds (distance) C4'-P energy: -89.375 bonds (distance) P-C4' energy: -88.924 flat angles C4'-P-C4' energy: -102.154 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -104.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1419.415803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.415803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.415803 (E_RNA) where: Base-Base interactions energy: -1005.747 where: short stacking energy: -395.477 Base-Backbone interact. energy: -1.367 local terms energy: -412.302071 where: bonds (distance) C4'-P energy: -81.444 bonds (distance) P-C4' energy: -85.885 flat angles C4'-P-C4' energy: -79.427 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -99.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1308.840716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.840716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.840716 (E_RNA) where: Base-Base interactions energy: -919.594 where: short stacking energy: -392.631 Base-Backbone interact. energy: -2.146 local terms energy: -387.100619 where: bonds (distance) C4'-P energy: -73.446 bonds (distance) P-C4' energy: -75.171 flat angles C4'-P-C4' energy: -89.956 flat angles P-C4'-P energy: -48.992 tors. eta vs tors. theta energy: -99.535 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: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1295.774014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.774014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.774014 (E_RNA) where: Base-Base interactions energy: -931.428 where: short stacking energy: -389.007 Base-Backbone interact. energy: -1.824 local terms energy: -362.522551 where: bonds (distance) C4'-P energy: -67.729 bonds (distance) P-C4' energy: -61.331 flat angles C4'-P-C4' energy: -85.313 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: -93.756 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1116.312572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.312572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.312572 (E_RNA) where: Base-Base interactions energy: -757.977 where: short stacking energy: -320.453 Base-Backbone interact. energy: -1.944 local terms energy: -356.392031 where: bonds (distance) C4'-P energy: -72.133 bonds (distance) P-C4' energy: -69.602 flat angles C4'-P-C4' energy: -80.463 flat angles P-C4'-P energy: -66.100 tors. eta vs tors. theta energy: -68.094 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: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -770.510699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.510699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.510699 (E_RNA) where: Base-Base interactions energy: -464.441 where: short stacking energy: -226.254 Base-Backbone interact. energy: -0.858 local terms energy: -305.211933 where: bonds (distance) C4'-P energy: -71.340 bonds (distance) P-C4' energy: -79.240 flat angles C4'-P-C4' energy: -63.486 flat angles P-C4'-P energy: -49.184 tors. eta vs tors. theta energy: -41.962 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: 220 Temperature: 1.350000 Total energy: -666.090803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.090803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.090803 (E_RNA) where: Base-Base interactions energy: -388.254 where: short stacking energy: -185.713 Base-Backbone interact. energy: -0.287 local terms energy: -277.549601 where: bonds (distance) C4'-P energy: -68.446 bonds (distance) P-C4' energy: -75.668 flat angles C4'-P-C4' energy: -74.351 flat angles P-C4'-P energy: -37.192 tors. eta vs tors. theta energy: -21.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1742.212361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.212361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.212361 (E_RNA) where: Base-Base interactions energy: -1245.989 where: short stacking energy: -491.676 Base-Backbone interact. energy: -5.205 local terms energy: -491.018313 where: bonds (distance) C4'-P energy: -92.593 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -100.685 flat angles P-C4'-P energy: -68.413 tors. eta vs tors. theta energy: -126.030 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: 221 Temperature: 0.950000 Total energy: -1645.804487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.804487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.804487 (E_RNA) where: Base-Base interactions energy: -1159.190 where: short stacking energy: -455.006 Base-Backbone interact. energy: 11.080 local terms energy: -497.694464 where: bonds (distance) C4'-P energy: -95.022 bonds (distance) P-C4' energy: -100.274 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -65.861 tors. eta vs tors. theta energy: -127.497 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: 10 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1541.660122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.660122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.660122 (E_RNA) where: Base-Base interactions energy: -1055.890 where: short stacking energy: -483.171 Base-Backbone interact. energy: -0.605 local terms energy: -485.165246 where: bonds (distance) C4'-P energy: -71.268 bonds (distance) P-C4' energy: -95.410 flat angles C4'-P-C4' energy: -111.178 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -140.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1481.112421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.112421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.112421 (E_RNA) where: Base-Base interactions energy: -1012.946 where: short stacking energy: -445.501 Base-Backbone interact. energy: -3.411 local terms energy: -464.754848 where: bonds (distance) C4'-P energy: -92.020 bonds (distance) P-C4' energy: -87.341 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -71.395 tors. eta vs tors. theta energy: -115.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1459.252631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.252631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.252631 (E_RNA) where: Base-Base interactions energy: -1014.502 where: short stacking energy: -405.793 Base-Backbone interact. energy: -1.354 local terms energy: -443.396478 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -88.045 flat angles C4'-P-C4' energy: -103.710 flat angles P-C4'-P energy: -69.356 tors. eta vs tors. theta energy: -101.656 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: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1402.414331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.414331 (E_RNA) where: Base-Base interactions energy: -986.281 where: short stacking energy: -408.320 Base-Backbone interact. energy: -1.237 local terms energy: -414.896790 where: bonds (distance) C4'-P energy: -74.758 bonds (distance) P-C4' energy: -78.540 flat angles C4'-P-C4' energy: -94.873 flat angles P-C4'-P energy: -59.833 tors. eta vs tors. theta energy: -106.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1256.857989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.857989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.857989 (E_RNA) where: Base-Base interactions energy: -876.067 where: short stacking energy: -369.610 Base-Backbone interact. energy: 5.477 local terms energy: -386.268521 where: bonds (distance) C4'-P energy: -85.207 bonds (distance) P-C4' energy: -70.458 flat angles C4'-P-C4' energy: -80.743 flat angles P-C4'-P energy: -60.729 tors. eta vs tors. theta energy: -89.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1101.143234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.143234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.143234 (E_RNA) where: Base-Base interactions energy: -735.402 where: short stacking energy: -324.848 Base-Backbone interact. energy: 0.438 local terms energy: -366.179542 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -65.768 flat angles C4'-P-C4' energy: -82.700 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -72.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -804.735755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.735755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.735755 (E_RNA) where: Base-Base interactions energy: -487.590 where: short stacking energy: -243.493 Base-Backbone interact. energy: -1.040 local terms energy: -316.105494 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -46.052 tors. eta vs tors. theta energy: -42.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -679.342050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.342050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.342050 (E_RNA) where: Base-Base interactions energy: -380.470 where: short stacking energy: -170.868 Base-Backbone interact. energy: -2.439 local terms energy: -296.433068 where: bonds (distance) C4'-P energy: -70.733 bonds (distance) P-C4' energy: -97.849 flat angles C4'-P-C4' energy: -70.227 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -13.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1714.441867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.441867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.441867 (E_RNA) where: Base-Base interactions energy: -1226.411 where: short stacking energy: -488.507 Base-Backbone interact. energy: -4.457 local terms energy: -483.574088 where: bonds (distance) C4'-P energy: -96.362 bonds (distance) P-C4' energy: -84.232 flat angles C4'-P-C4' energy: -114.473 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -119.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1623.591272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.591272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.591272 (E_RNA) where: Base-Base interactions energy: -1145.410 where: short stacking energy: -476.721 Base-Backbone interact. energy: 6.764 local terms energy: -484.945797 where: bonds (distance) C4'-P energy: -92.654 bonds (distance) P-C4' energy: -92.045 flat angles C4'-P-C4' energy: -105.371 flat angles P-C4'-P energy: -73.685 tors. eta vs tors. theta energy: -121.190 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: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1562.265568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.265568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.265568 (E_RNA) where: Base-Base interactions energy: -1062.494 where: short stacking energy: -496.793 Base-Backbone interact. energy: -0.908 local terms energy: -498.863194 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -98.912 flat angles C4'-P-C4' energy: -104.851 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -146.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1457.276237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.276237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.276237 (E_RNA) where: Base-Base interactions energy: -1028.692 where: short stacking energy: -433.727 Base-Backbone interact. energy: -4.603 local terms energy: -423.981799 where: bonds (distance) C4'-P energy: -77.665 bonds (distance) P-C4' energy: -81.744 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -58.880 tors. eta vs tors. theta energy: -108.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1453.773674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.773674 (E_RNA) where: Base-Base interactions energy: -1006.989 where: short stacking energy: -398.179 Base-Backbone interact. energy: -2.639 local terms energy: -444.146485 where: bonds (distance) C4'-P energy: -89.536 bonds (distance) P-C4' energy: -94.429 flat angles C4'-P-C4' energy: -89.217 flat angles P-C4'-P energy: -70.450 tors. eta vs tors. theta energy: -100.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1406.720013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.720013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.720013 (E_RNA) where: Base-Base interactions energy: -989.630 where: short stacking energy: -402.498 Base-Backbone interact. energy: -2.267 local terms energy: -414.823020 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -98.086 flat angles C4'-P-C4' energy: -91.472 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -101.410 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: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1159.348781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.348781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.348781 (E_RNA) where: Base-Base interactions energy: -782.777 where: short stacking energy: -351.845 Base-Backbone interact. energy: -1.988 local terms energy: -374.583937 where: bonds (distance) C4'-P energy: -74.620 bonds (distance) P-C4' energy: -83.857 flat angles C4'-P-C4' energy: -82.396 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -86.438 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: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1042.104830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.104830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.104830 (E_RNA) where: Base-Base interactions energy: -685.172 where: short stacking energy: -304.334 Base-Backbone interact. energy: -1.435 local terms energy: -355.498123 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -62.391 tors. eta vs tors. theta energy: -64.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -729.401981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.401981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.401981 (E_RNA) where: Base-Base interactions energy: -412.193 where: short stacking energy: -211.499 Base-Backbone interact. energy: -1.614 local terms energy: -315.595282 where: bonds (distance) C4'-P energy: -82.462 bonds (distance) P-C4' energy: -91.046 flat angles C4'-P-C4' energy: -79.298 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -24.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -608.094837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.094837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.094837 (E_RNA) where: Base-Base interactions energy: -327.442 where: short stacking energy: -169.270 Base-Backbone interact. energy: -1.499 local terms energy: -279.153890 where: bonds (distance) C4'-P energy: -78.428 bonds (distance) P-C4' energy: -72.897 flat angles C4'-P-C4' energy: -73.765 flat angles P-C4'-P energy: -34.398 tors. eta vs tors. theta energy: -19.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1696.358859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.358859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.358859 (E_RNA) where: Base-Base interactions energy: -1204.304 where: short stacking energy: -472.198 Base-Backbone interact. energy: -2.461 local terms energy: -489.593435 where: bonds (distance) C4'-P energy: -95.426 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -110.693 flat angles P-C4'-P energy: -77.778 tors. eta vs tors. theta energy: -123.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1650.502046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.502046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.502046 (E_RNA) where: Base-Base interactions energy: -1167.971 where: short stacking energy: -466.027 Base-Backbone interact. energy: 12.757 local terms energy: -495.288827 where: bonds (distance) C4'-P energy: -100.808 bonds (distance) P-C4' energy: -87.737 flat angles C4'-P-C4' energy: -105.041 flat angles P-C4'-P energy: -79.260 tors. eta vs tors. theta energy: -122.443 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: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1554.656222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.656222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.656222 (E_RNA) where: Base-Base interactions energy: -1070.338 where: short stacking energy: -479.906 Base-Backbone interact. energy: -0.864 local terms energy: -483.453534 where: bonds (distance) C4'-P energy: -89.468 bonds (distance) P-C4' energy: -95.859 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -67.793 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: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1475.631489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.631489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.631489 (E_RNA) where: Base-Base interactions energy: -1031.487 where: short stacking energy: -406.101 Base-Backbone interact. energy: -2.502 local terms energy: -441.642708 where: bonds (distance) C4'-P energy: -82.068 bonds (distance) P-C4' energy: -95.523 flat angles C4'-P-C4' energy: -102.919 flat angles P-C4'-P energy: -59.320 tors. eta vs tors. theta energy: -101.813 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: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1437.200867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.200867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.200867 (E_RNA) where: Base-Base interactions energy: -1009.411 where: short stacking energy: -415.303 Base-Backbone interact. energy: -3.206 local terms energy: -424.583801 where: bonds (distance) C4'-P energy: -82.930 bonds (distance) P-C4' energy: -84.034 flat angles C4'-P-C4' energy: -94.867 flat angles P-C4'-P energy: -57.573 tors. eta vs tors. theta energy: -105.180 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: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1417.278472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.278472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.278472 (E_RNA) where: Base-Base interactions energy: -989.115 where: short stacking energy: -416.912 Base-Backbone interact. energy: -1.518 local terms energy: -426.645178 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -88.615 flat angles C4'-P-C4' energy: -97.795 flat angles P-C4'-P energy: -59.485 tors. eta vs tors. theta energy: -102.729 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: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1167.470032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.470032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.470032 (E_RNA) where: Base-Base interactions energy: -796.605 where: short stacking energy: -341.170 Base-Backbone interact. energy: -1.764 local terms energy: -369.101413 where: bonds (distance) C4'-P energy: -80.749 bonds (distance) P-C4' energy: -71.238 flat angles C4'-P-C4' energy: -84.690 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -72.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1051.592772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.592772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.592772 (E_RNA) where: Base-Base interactions energy: -707.787 where: short stacking energy: -302.781 Base-Backbone interact. energy: 0.013 local terms energy: -343.819118 where: bonds (distance) C4'-P energy: -88.177 bonds (distance) P-C4' energy: -72.374 flat angles C4'-P-C4' energy: -73.228 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -59.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -724.611868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.611868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.611868 (E_RNA) where: Base-Base interactions energy: -417.316 where: short stacking energy: -216.053 Base-Backbone interact. energy: 1.137 local terms energy: -308.433191 where: bonds (distance) C4'-P energy: -75.822 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -91.984 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -22.970 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: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -558.905042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.905042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.905042 (E_RNA) where: Base-Base interactions energy: -296.616 where: short stacking energy: -180.558 Base-Backbone interact. energy: 5.708 local terms energy: -267.997029 where: bonds (distance) C4'-P energy: -80.117 bonds (distance) P-C4' energy: -80.058 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -25.906 tors. eta vs tors. theta energy: -21.282 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: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1712.212939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.212939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.212939 (E_RNA) where: Base-Base interactions energy: -1244.633 where: short stacking energy: -481.064 Base-Backbone interact. energy: -1.932 local terms energy: -465.647515 where: bonds (distance) C4'-P energy: -84.949 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -104.768 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -118.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1656.584757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.584757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.584757 (E_RNA) where: Base-Base interactions energy: -1192.292 where: short stacking energy: -481.723 Base-Backbone interact. energy: 0.857 local terms energy: -465.149812 where: bonds (distance) C4'-P energy: -85.573 bonds (distance) P-C4' energy: -85.361 flat angles C4'-P-C4' energy: -104.235 flat angles P-C4'-P energy: -68.492 tors. eta vs tors. theta energy: -121.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1574.830787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.830787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.830787 (E_RNA) where: Base-Base interactions energy: -1073.398 where: short stacking energy: -477.628 Base-Backbone interact. energy: -1.543 local terms energy: -499.890227 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -91.833 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -75.564 tors. eta vs tors. theta energy: -138.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1437.546191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.546191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.546191 (E_RNA) where: Base-Base interactions energy: -1001.407 where: short stacking energy: -396.468 Base-Backbone interact. energy: -2.600 local terms energy: -433.539296 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -92.070 flat angles C4'-P-C4' energy: -98.772 flat angles P-C4'-P energy: -61.342 tors. eta vs tors. theta energy: -90.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1422.402915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.402915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.402915 (E_RNA) where: Base-Base interactions energy: -973.803 where: short stacking energy: -413.222 Base-Backbone interact. energy: -1.106 local terms energy: -447.493567 where: bonds (distance) C4'-P energy: -89.999 bonds (distance) P-C4' energy: -83.668 flat angles C4'-P-C4' energy: -92.045 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1409.596390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.596390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.596390 (E_RNA) where: Base-Base interactions energy: -992.390 where: short stacking energy: -416.762 Base-Backbone interact. energy: -1.301 local terms energy: -415.905583 where: bonds (distance) C4'-P energy: -82.374 bonds (distance) P-C4' energy: -64.610 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -62.918 tors. eta vs tors. theta energy: -113.696 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: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1150.712619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.712619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.712619 (E_RNA) where: Base-Base interactions energy: -781.294 where: short stacking energy: -322.137 Base-Backbone interact. energy: -2.749 local terms energy: -366.669625 where: bonds (distance) C4'-P energy: -71.533 bonds (distance) P-C4' energy: -88.896 flat angles C4'-P-C4' energy: -83.263 flat angles P-C4'-P energy: -55.858 tors. eta vs tors. theta energy: -67.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1065.116923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.116923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.116923 (E_RNA) where: Base-Base interactions energy: -696.848 where: short stacking energy: -307.179 Base-Backbone interact. energy: 3.009 local terms energy: -371.277413 where: bonds (distance) C4'-P energy: -71.922 bonds (distance) P-C4' energy: -84.209 flat angles C4'-P-C4' energy: -85.060 flat angles P-C4'-P energy: -56.747 tors. eta vs tors. theta energy: -73.340 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: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -619.156512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.156512 (E_RNA) where: Base-Base interactions energy: -310.171 where: short stacking energy: -171.412 Base-Backbone interact. energy: -1.918 local terms energy: -307.067858 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -80.844 flat angles C4'-P-C4' energy: -80.157 flat angles P-C4'-P energy: -49.529 tors. eta vs tors. theta energy: -15.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -703.325647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.325647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.325647 (E_RNA) where: Base-Base interactions energy: -423.519 where: short stacking energy: -217.772 Base-Backbone interact. energy: 1.138 local terms energy: -280.944100 where: bonds (distance) C4'-P energy: -78.946 bonds (distance) P-C4' energy: -72.182 flat angles C4'-P-C4' energy: -68.852 flat angles P-C4'-P energy: -37.978 tors. eta vs tors. theta energy: -22.986 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: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1703.448200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.448200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.448200 (E_RNA) where: Base-Base interactions energy: -1232.423 where: short stacking energy: -491.861 Base-Backbone interact. energy: -3.394 local terms energy: -467.631336 where: bonds (distance) C4'-P energy: -75.395 bonds (distance) P-C4' energy: -93.548 flat angles C4'-P-C4' energy: -104.774 flat angles P-C4'-P energy: -73.240 tors. eta vs tors. theta energy: -120.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1634.692413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.692413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.692413 (E_RNA) where: Base-Base interactions energy: -1143.896 where: short stacking energy: -471.235 Base-Backbone interact. energy: 2.900 local terms energy: -493.697058 where: bonds (distance) C4'-P energy: -103.186 bonds (distance) P-C4' energy: -92.225 flat angles C4'-P-C4' energy: -103.573 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -121.939 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: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1549.174707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.174707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.174707 (E_RNA) where: Base-Base interactions energy: -1074.843 where: short stacking energy: -480.095 Base-Backbone interact. energy: -1.121 local terms energy: -473.210469 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -72.356 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -131.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1482.551579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.551579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.551579 (E_RNA) where: Base-Base interactions energy: -1011.470 where: short stacking energy: -427.578 Base-Backbone interact. energy: -1.352 local terms energy: -469.729483 where: bonds (distance) C4'-P energy: -78.385 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -68.398 tors. eta vs tors. theta energy: -123.465 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: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1448.738588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.738588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.738588 (E_RNA) where: Base-Base interactions energy: -1024.255 where: short stacking energy: -421.462 Base-Backbone interact. energy: -3.956 local terms energy: -420.526704 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -89.042 flat angles P-C4'-P energy: -65.680 tors. eta vs tors. theta energy: -103.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1403.051763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.051763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.051763 (E_RNA) where: Base-Base interactions energy: -980.973 where: short stacking energy: -403.973 Base-Backbone interact. energy: -2.605 local terms energy: -419.473472 where: bonds (distance) C4'-P energy: -75.098 bonds (distance) P-C4' energy: -84.014 flat angles C4'-P-C4' energy: -101.380 flat angles P-C4'-P energy: -54.703 tors. eta vs tors. theta energy: -104.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1164.658637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.658637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.658637 (E_RNA) where: Base-Base interactions energy: -803.402 where: short stacking energy: -336.293 Base-Backbone interact. energy: 0.550 local terms energy: -361.807409 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -89.949 flat angles C4'-P-C4' energy: -83.138 flat angles P-C4'-P energy: -46.317 tors. eta vs tors. theta energy: -81.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1070.864466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.864466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.864466 (E_RNA) where: Base-Base interactions energy: -694.538 where: short stacking energy: -292.400 Base-Backbone interact. energy: -2.718 local terms energy: -373.608928 where: bonds (distance) C4'-P energy: -75.084 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -82.096 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -65.016 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: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -731.440646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.440646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.440646 (E_RNA) where: Base-Base interactions energy: -444.257 where: short stacking energy: -216.458 Base-Backbone interact. energy: 2.724 local terms energy: -289.907886 where: bonds (distance) C4'-P energy: -58.170 bonds (distance) P-C4' energy: -85.487 flat angles C4'-P-C4' energy: -74.497 flat angles P-C4'-P energy: -44.705 tors. eta vs tors. theta energy: -27.049 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: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -695.870216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.870216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.870216 (E_RNA) where: Base-Base interactions energy: -409.819 where: short stacking energy: -196.331 Base-Backbone interact. energy: -1.635 local terms energy: -284.415729 where: bonds (distance) C4'-P energy: -76.285 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -39.682 tors. eta vs tors. theta energy: -32.499 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: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1700.831011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.831011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.831011 (E_RNA) where: Base-Base interactions energy: -1213.864 where: short stacking energy: -471.959 Base-Backbone interact. energy: -2.596 local terms energy: -484.370754 where: bonds (distance) C4'-P energy: -89.915 bonds (distance) P-C4' energy: -98.451 flat angles C4'-P-C4' energy: -108.778 flat angles P-C4'-P energy: -70.450 tors. eta vs tors. theta energy: -116.775 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: 226 Temperature: 0.950000 Total energy: -1617.851882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.851882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.851882 (E_RNA) where: Base-Base interactions energy: -1136.881 where: short stacking energy: -462.255 Base-Backbone interact. energy: 3.893 local terms energy: -484.863434 where: bonds (distance) C4'-P energy: -88.265 bonds (distance) P-C4' energy: -100.436 flat angles C4'-P-C4' energy: -107.027 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -119.129 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1558.841575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.841575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.841575 (E_RNA) where: Base-Base interactions energy: -1072.824 where: short stacking energy: -474.163 Base-Backbone interact. energy: -2.616 local terms energy: -483.401424 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -82.950 flat angles C4'-P-C4' energy: -108.329 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -133.999 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: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1468.944899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.944899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.944899 (E_RNA) where: Base-Base interactions energy: -984.324 where: short stacking energy: -439.546 Base-Backbone interact. energy: -1.461 local terms energy: -483.159517 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -94.419 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -128.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1451.647273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.647273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.647273 (E_RNA) where: Base-Base interactions energy: -1020.636 where: short stacking energy: -437.078 Base-Backbone interact. energy: -4.018 local terms energy: -426.993170 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -84.822 flat angles C4'-P-C4' energy: -82.782 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -116.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1392.837260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.837260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.837260 (E_RNA) where: Base-Base interactions energy: -982.317 where: short stacking energy: -428.442 Base-Backbone interact. energy: -3.850 local terms energy: -406.670767 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -73.992 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -112.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1128.121841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.121841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.121841 (E_RNA) where: Base-Base interactions energy: -736.941 where: short stacking energy: -312.145 Base-Backbone interact. energy: -0.789 local terms energy: -390.390941 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -79.378 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -73.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1093.076560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.076560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.076560 (E_RNA) where: Base-Base interactions energy: -725.192 where: short stacking energy: -325.467 Base-Backbone interact. energy: -2.064 local terms energy: -365.820744 where: bonds (distance) C4'-P energy: -76.181 bonds (distance) P-C4' energy: -83.222 flat angles C4'-P-C4' energy: -81.469 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -75.447 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -693.841096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.841096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.841096 (E_RNA) where: Base-Base interactions energy: -413.774 where: short stacking energy: -181.800 Base-Backbone interact. energy: 0.642 local terms energy: -280.709641 where: bonds (distance) C4'-P energy: -62.715 bonds (distance) P-C4' energy: -71.914 flat angles C4'-P-C4' energy: -84.057 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -19.741 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: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -625.858653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.858653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.858653 (E_RNA) where: Base-Base interactions energy: -349.833 where: short stacking energy: -186.805 Base-Backbone interact. energy: 0.243 local terms energy: -276.268582 where: bonds (distance) C4'-P energy: -82.263 bonds (distance) P-C4' energy: -72.000 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -27.082 tors. eta vs tors. theta energy: -14.234 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: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1714.426988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.426988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.426988 (E_RNA) where: Base-Base interactions energy: -1218.858 where: short stacking energy: -473.322 Base-Backbone interact. energy: -0.662 local terms energy: -494.906749 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -96.210 flat angles C4'-P-C4' energy: -112.809 flat angles P-C4'-P energy: -64.228 tors. eta vs tors. theta energy: -116.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1620.132115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.132115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.132115 (E_RNA) where: Base-Base interactions energy: -1131.212 where: short stacking energy: -456.912 Base-Backbone interact. energy: 2.747 local terms energy: -491.667481 where: bonds (distance) C4'-P energy: -95.676 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -107.980 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -128.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1526.478816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.478816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.478816 (E_RNA) where: Base-Base interactions energy: -1039.978 where: short stacking energy: -467.676 Base-Backbone interact. energy: -1.106 local terms energy: -485.395496 where: bonds (distance) C4'-P energy: -87.322 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -110.868 flat angles P-C4'-P energy: -68.827 tors. eta vs tors. theta energy: -135.070 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: 227 Temperature: 1.050000 Total energy: -1549.583310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.583310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.583310 (E_RNA) where: Base-Base interactions energy: -1072.904 where: short stacking energy: -463.341 Base-Backbone interact. energy: -3.235 local terms energy: -473.444730 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -89.004 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -130.026 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: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1446.558792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.558792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.558792 (E_RNA) where: Base-Base interactions energy: -1003.870 where: short stacking energy: -402.767 Base-Backbone interact. energy: -0.433 local terms energy: -442.255559 where: bonds (distance) C4'-P energy: -95.367 bonds (distance) P-C4' energy: -92.259 flat angles C4'-P-C4' energy: -95.755 flat angles P-C4'-P energy: -53.497 tors. eta vs tors. theta energy: -105.378 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: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1394.717193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.717193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.717193 (E_RNA) where: Base-Base interactions energy: -984.347 where: short stacking energy: -412.263 Base-Backbone interact. energy: -2.809 local terms energy: -407.560771 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -64.762 tors. eta vs tors. theta energy: -110.812 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: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1086.642237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.642237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.642237 (E_RNA) where: Base-Base interactions energy: -726.464 where: short stacking energy: -293.240 Base-Backbone interact. energy: -1.654 local terms energy: -358.524458 where: bonds (distance) C4'-P energy: -82.707 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -76.556 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -58.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1093.441621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.441621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.441621 (E_RNA) where: Base-Base interactions energy: -719.207 where: short stacking energy: -302.235 Base-Backbone interact. energy: -0.474 local terms energy: -373.759749 where: bonds (distance) C4'-P energy: -87.745 bonds (distance) P-C4' energy: -75.094 flat angles C4'-P-C4' energy: -78.888 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -64.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -742.762619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.762619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.762619 (E_RNA) where: Base-Base interactions energy: -443.223 where: short stacking energy: -210.778 Base-Backbone interact. energy: -3.056 local terms energy: -296.483216 where: bonds (distance) C4'-P energy: -68.288 bonds (distance) P-C4' energy: -85.036 flat angles C4'-P-C4' energy: -70.650 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -26.469 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: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -631.315976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.315976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.315976 (E_RNA) where: Base-Base interactions energy: -376.810 where: short stacking energy: -183.742 Base-Backbone interact. energy: 0.728 local terms energy: -255.233980 where: bonds (distance) C4'-P energy: -77.973 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -36.988 tors. eta vs tors. theta energy: -10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1666.862129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.862129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.862129 (E_RNA) where: Base-Base interactions energy: -1186.916 where: short stacking energy: -472.213 Base-Backbone interact. energy: 2.030 local terms energy: -481.975870 where: bonds (distance) C4'-P energy: -79.759 bonds (distance) P-C4' energy: -91.354 flat angles C4'-P-C4' energy: -108.676 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: -131.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1685.122990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.122990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.122990 (E_RNA) where: Base-Base interactions energy: -1227.156 where: short stacking energy: -467.233 Base-Backbone interact. energy: 3.729 local terms energy: -461.696223 where: bonds (distance) C4'-P energy: -96.330 bonds (distance) P-C4' energy: -87.171 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -112.387 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: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1559.500670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.500670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.500670 (E_RNA) where: Base-Base interactions energy: -1099.603 where: short stacking energy: -464.504 Base-Backbone interact. energy: -2.045 local terms energy: -457.853080 where: bonds (distance) C4'-P energy: -92.126 bonds (distance) P-C4' energy: -81.603 flat angles C4'-P-C4' energy: -89.218 flat angles P-C4'-P energy: -71.653 tors. eta vs tors. theta energy: -123.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1495.545937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.545937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.545937 (E_RNA) where: Base-Base interactions energy: -1040.799 where: short stacking energy: -464.214 Base-Backbone interact. energy: 1.190 local terms energy: -455.937112 where: bonds (distance) C4'-P energy: -81.425 bonds (distance) P-C4' energy: -88.866 flat angles C4'-P-C4' energy: -104.542 flat angles P-C4'-P energy: -52.868 tors. eta vs tors. theta energy: -128.237 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: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1369.001854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.001854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.001854 (E_RNA) where: Base-Base interactions energy: -937.134 where: short stacking energy: -391.285 Base-Backbone interact. energy: -0.670 local terms energy: -431.197524 where: bonds (distance) C4'-P energy: -87.130 bonds (distance) P-C4' energy: -87.243 flat angles C4'-P-C4' energy: -91.001 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -94.459 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: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1386.015710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.015710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.015710 (E_RNA) where: Base-Base interactions energy: -968.378 where: short stacking energy: -399.917 Base-Backbone interact. energy: -0.113 local terms energy: -417.524965 where: bonds (distance) C4'-P energy: -78.223 bonds (distance) P-C4' energy: -80.220 flat angles C4'-P-C4' energy: -85.239 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -105.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1107.594108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.594108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.594108 (E_RNA) where: Base-Base interactions energy: -749.296 where: short stacking energy: -332.327 Base-Backbone interact. energy: -3.428 local terms energy: -354.870348 where: bonds (distance) C4'-P energy: -73.794 bonds (distance) P-C4' energy: -81.126 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -63.788 tors. eta vs tors. theta energy: -63.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1037.394423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.394423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.394423 (E_RNA) where: Base-Base interactions energy: -698.127 where: short stacking energy: -295.442 Base-Backbone interact. energy: 0.227 local terms energy: -339.494404 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -82.420 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -54.496 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: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -771.851507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.851507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.851507 (E_RNA) where: Base-Base interactions energy: -453.604 where: short stacking energy: -213.770 Base-Backbone interact. energy: -2.040 local terms energy: -316.207168 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -76.670 flat angles C4'-P-C4' energy: -76.336 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -33.284 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: 228 Temperature: 1.350000 Total energy: -599.610385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.610385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.610385 (E_RNA) where: Base-Base interactions energy: -325.171 where: short stacking energy: -167.235 Base-Backbone interact. energy: -3.556 local terms energy: -270.883570 where: bonds (distance) C4'-P energy: -81.386 bonds (distance) P-C4' energy: -83.344 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -22.633 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1690.823623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.823623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.823623 (E_RNA) where: Base-Base interactions energy: -1202.613 where: short stacking energy: -487.623 Base-Backbone interact. energy: -2.715 local terms energy: -485.495151 where: bonds (distance) C4'-P energy: -89.985 bonds (distance) P-C4' energy: -87.983 flat angles C4'-P-C4' energy: -105.787 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -135.002 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: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1666.736135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.736135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.736135 (E_RNA) where: Base-Base interactions energy: -1192.675 where: short stacking energy: -462.212 Base-Backbone interact. energy: -2.896 local terms energy: -471.165055 where: bonds (distance) C4'-P energy: -86.487 bonds (distance) P-C4' energy: -101.348 flat angles C4'-P-C4' energy: -97.889 flat angles P-C4'-P energy: -78.056 tors. eta vs tors. theta energy: -107.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1546.443325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.443325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.443325 (E_RNA) where: Base-Base interactions energy: -1082.954 where: short stacking energy: -490.123 Base-Backbone interact. energy: -1.356 local terms energy: -462.133012 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -87.076 flat angles C4'-P-C4' energy: -96.403 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -128.686 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: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1502.776098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.776098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.776098 (E_RNA) where: Base-Base interactions energy: -1020.289 where: short stacking energy: -454.202 Base-Backbone interact. energy: -1.437 local terms energy: -481.050253 where: bonds (distance) C4'-P energy: -84.049 bonds (distance) P-C4' energy: -87.605 flat angles C4'-P-C4' energy: -101.889 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -143.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1374.631068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.631068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.631068 (E_RNA) where: Base-Base interactions energy: -955.406 where: short stacking energy: -382.241 Base-Backbone interact. energy: -3.579 local terms energy: -415.646456 where: bonds (distance) C4'-P energy: -89.047 bonds (distance) P-C4' energy: -87.119 flat angles C4'-P-C4' energy: -96.680 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -89.445 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: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1344.003718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.003718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.003718 (E_RNA) where: Base-Base interactions energy: -922.278 where: short stacking energy: -404.050 Base-Backbone interact. energy: -1.284 local terms energy: -420.441204 where: bonds (distance) C4'-P energy: -84.569 bonds (distance) P-C4' energy: -85.392 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -100.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1143.380961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.380961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.380961 (E_RNA) where: Base-Base interactions energy: -761.303 where: short stacking energy: -339.011 Base-Backbone interact. energy: 0.422 local terms energy: -382.500832 where: bonds (distance) C4'-P energy: -77.888 bonds (distance) P-C4' energy: -98.005 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -67.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1088.479191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.479191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.479191 (E_RNA) where: Base-Base interactions energy: -732.239 where: short stacking energy: -321.698 Base-Backbone interact. energy: 1.524 local terms energy: -357.764707 where: bonds (distance) C4'-P energy: -77.169 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -63.711 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: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -837.698745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.698745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.698745 (E_RNA) where: Base-Base interactions energy: -525.755 where: short stacking energy: -245.327 Base-Backbone interact. energy: -2.128 local terms energy: -309.815372 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -65.029 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -51.324 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: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -673.453493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.453493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.453493 (E_RNA) where: Base-Base interactions energy: -387.001 where: short stacking energy: -174.728 Base-Backbone interact. energy: -0.631 local terms energy: -285.822195 where: bonds (distance) C4'-P energy: -82.273 bonds (distance) P-C4' energy: -70.649 flat angles C4'-P-C4' energy: -85.778 flat angles P-C4'-P energy: -42.253 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1670.779752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.779752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.779752 (E_RNA) where: Base-Base interactions energy: -1164.128 where: short stacking energy: -508.294 Base-Backbone interact. energy: -0.655 local terms energy: -505.996882 where: bonds (distance) C4'-P energy: -95.402 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -106.181 flat angles P-C4'-P energy: -71.203 tors. eta vs tors. theta energy: -131.500 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1665.462249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.462249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.462249 (E_RNA) where: Base-Base interactions energy: -1212.459 where: short stacking energy: -472.618 Base-Backbone interact. energy: -0.964 local terms energy: -452.039550 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -93.905 flat angles P-C4'-P energy: -62.737 tors. eta vs tors. theta energy: -115.423 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: 230 Temperature: 1.000000 Total energy: -1565.282372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.282372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.282372 (E_RNA) where: Base-Base interactions energy: -1087.736 where: short stacking energy: -437.376 Base-Backbone interact. energy: -1.115 local terms energy: -476.431321 where: bonds (distance) C4'-P energy: -98.943 bonds (distance) P-C4' energy: -89.272 flat angles C4'-P-C4' energy: -95.888 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -125.999 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1478.687458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.687458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.687458 (E_RNA) where: Base-Base interactions energy: -1019.483 where: short stacking energy: -435.672 Base-Backbone interact. energy: -1.291 local terms energy: -457.912498 where: bonds (distance) C4'-P energy: -75.507 bonds (distance) P-C4' energy: -89.792 flat angles C4'-P-C4' energy: -98.836 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -121.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1366.749122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.749122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.749122 (E_RNA) where: Base-Base interactions energy: -940.757 where: short stacking energy: -381.372 Base-Backbone interact. energy: -2.446 local terms energy: -423.546101 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -98.381 flat angles P-C4'-P energy: -65.233 tors. eta vs tors. theta energy: -102.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1380.238812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.238812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.238812 (E_RNA) where: Base-Base interactions energy: -975.837 where: short stacking energy: -416.661 Base-Backbone interact. energy: -3.113 local terms energy: -401.288443 where: bonds (distance) C4'-P energy: -70.127 bonds (distance) P-C4' energy: -86.960 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -56.540 tors. eta vs tors. theta energy: -101.741 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: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1118.921577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.921577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.921577 (E_RNA) where: Base-Base interactions energy: -748.133 where: short stacking energy: -314.273 Base-Backbone interact. energy: 0.722 local terms energy: -371.510178 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -77.634 flat angles C4'-P-C4' energy: -86.840 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -77.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1013.778583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.778583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.778583 (E_RNA) where: Base-Base interactions energy: -646.325 where: short stacking energy: -277.863 Base-Backbone interact. energy: -2.141 local terms energy: -365.312898 where: bonds (distance) C4'-P energy: -84.188 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -89.015 flat angles P-C4'-P energy: -58.100 tors. eta vs tors. theta energy: -50.923 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: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -867.540684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.540684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.540684 (E_RNA) where: Base-Base interactions energy: -562.566 where: short stacking energy: -236.091 Base-Backbone interact. energy: -0.085 local terms energy: -304.889175 where: bonds (distance) C4'-P energy: -78.468 bonds (distance) P-C4' energy: -76.290 flat angles C4'-P-C4' energy: -73.430 flat angles P-C4'-P energy: -43.361 tors. eta vs tors. theta energy: -33.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -660.843661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.843661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.843661 (E_RNA) where: Base-Base interactions energy: -380.784 where: short stacking energy: -187.008 Base-Backbone interact. energy: 1.295 local terms energy: -281.355421 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -76.895 flat angles C4'-P-C4' energy: -74.528 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -14.151 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: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1647.103133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.103133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.103133 (E_RNA) where: Base-Base interactions energy: -1169.574 where: short stacking energy: -480.248 Base-Backbone interact. energy: 4.189 local terms energy: -481.718879 where: bonds (distance) C4'-P energy: -82.136 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -108.655 flat angles P-C4'-P energy: -79.341 tors. eta vs tors. theta energy: -124.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1654.629643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.629643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.629643 (E_RNA) where: Base-Base interactions energy: -1203.502 where: short stacking energy: -481.517 Base-Backbone interact. energy: -1.001 local terms energy: -450.126224 where: bonds (distance) C4'-P energy: -80.238 bonds (distance) P-C4' energy: -83.202 flat angles C4'-P-C4' energy: -105.461 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -105.397 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: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1582.820196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.820196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.820196 (E_RNA) where: Base-Base interactions energy: -1117.191 where: short stacking energy: -451.761 Base-Backbone interact. energy: -1.873 local terms energy: -463.755755 where: bonds (distance) C4'-P energy: -91.485 bonds (distance) P-C4' energy: -81.804 flat angles C4'-P-C4' energy: -100.315 flat angles P-C4'-P energy: -72.033 tors. eta vs tors. theta energy: -118.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1492.707629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.707629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.707629 (E_RNA) where: Base-Base interactions energy: -1032.145 where: short stacking energy: -451.050 Base-Backbone interact. energy: -1.401 local terms energy: -459.161781 where: bonds (distance) C4'-P energy: -103.471 bonds (distance) P-C4' energy: -83.584 flat angles C4'-P-C4' energy: -94.796 flat angles P-C4'-P energy: -62.343 tors. eta vs tors. theta energy: -114.967 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: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1406.262160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.262160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.262160 (E_RNA) where: Base-Base interactions energy: -974.451 where: short stacking energy: -417.593 Base-Backbone interact. energy: 0.627 local terms energy: -432.438059 where: bonds (distance) C4'-P energy: -78.438 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -96.278 flat angles P-C4'-P energy: -59.150 tors. eta vs tors. theta energy: -108.694 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: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1465.189151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.189151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.189151 (E_RNA) where: Base-Base interactions energy: -1022.617 where: short stacking energy: -433.145 Base-Backbone interact. energy: 3.243 local terms energy: -445.814434 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -72.823 flat angles C4'-P-C4' energy: -99.076 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -123.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1163.058535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.058535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.058535 (E_RNA) where: Base-Base interactions energy: -754.154 where: short stacking energy: -348.111 Base-Backbone interact. energy: -0.239 local terms energy: -408.665225 where: bonds (distance) C4'-P energy: -78.749 bonds (distance) P-C4' energy: -82.530 flat angles C4'-P-C4' energy: -99.222 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -88.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -996.826795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.826795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.826795 (E_RNA) where: Base-Base interactions energy: -635.052 where: short stacking energy: -263.693 Base-Backbone interact. energy: -1.034 local terms energy: -360.740082 where: bonds (distance) C4'-P energy: -87.730 bonds (distance) P-C4' energy: -89.650 flat angles C4'-P-C4' energy: -68.916 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -51.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -816.794845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.794845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.794845 (E_RNA) where: Base-Base interactions energy: -504.542 where: short stacking energy: -225.542 Base-Backbone interact. energy: -2.809 local terms energy: -309.443903 where: bonds (distance) C4'-P energy: -69.014 bonds (distance) P-C4' energy: -87.192 flat angles C4'-P-C4' energy: -70.696 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -36.221 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: 231 Temperature: 1.350000 Total energy: -690.500436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.500436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.500436 (E_RNA) where: Base-Base interactions energy: -397.257 where: short stacking energy: -214.116 Base-Backbone interact. energy: -1.583 local terms energy: -291.659876 where: bonds (distance) C4'-P energy: -82.220 bonds (distance) P-C4' energy: -92.589 flat angles C4'-P-C4' energy: -66.260 flat angles P-C4'-P energy: -35.613 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1660.087827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.087827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.087827 (E_RNA) where: Base-Base interactions energy: -1170.395 where: short stacking energy: -470.143 Base-Backbone interact. energy: -6.636 local terms energy: -483.056569 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -102.099 flat angles P-C4'-P energy: -84.189 tors. eta vs tors. theta energy: -121.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1634.731378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.731378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.731378 (E_RNA) where: Base-Base interactions energy: -1174.719 where: short stacking energy: -456.398 Base-Backbone interact. energy: -3.819 local terms energy: -456.194330 where: bonds (distance) C4'-P energy: -87.324 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -110.596 flat angles P-C4'-P energy: -71.039 tors. eta vs tors. theta energy: -104.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1581.522936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.522936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.522936 (E_RNA) where: Base-Base interactions energy: -1087.291 where: short stacking energy: -456.050 Base-Backbone interact. energy: -2.592 local terms energy: -491.639945 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -100.820 flat angles C4'-P-C4' energy: -111.084 flat angles P-C4'-P energy: -72.793 tors. eta vs tors. theta energy: -133.405 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: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1515.997594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.997594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.997594 (E_RNA) where: Base-Base interactions energy: -1041.928 where: short stacking energy: -455.944 Base-Backbone interact. energy: -2.294 local terms energy: -471.775692 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -101.916 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -126.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1490.191638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.191638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.191638 (E_RNA) where: Base-Base interactions energy: -1033.373 where: short stacking energy: -430.460 Base-Backbone interact. energy: -3.527 local terms energy: -453.292322 where: bonds (distance) C4'-P energy: -91.727 bonds (distance) P-C4' energy: -85.026 flat angles C4'-P-C4' energy: -94.315 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -117.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1296.347088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.347088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.347088 (E_RNA) where: Base-Base interactions energy: -870.657 where: short stacking energy: -363.256 Base-Backbone interact. energy: 1.754 local terms energy: -427.444399 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -80.764 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: -96.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1155.076871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.076871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.076871 (E_RNA) where: Base-Base interactions energy: -795.839 where: short stacking energy: -343.259 Base-Backbone interact. energy: 0.914 local terms energy: -360.151702 where: bonds (distance) C4'-P energy: -79.286 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -86.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1035.717466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.717466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.717466 (E_RNA) where: Base-Base interactions energy: -689.234 where: short stacking energy: -304.744 Base-Backbone interact. energy: 2.114 local terms energy: -348.597384 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -78.086 flat angles P-C4'-P energy: -50.417 tors. eta vs tors. theta energy: -67.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -888.930016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.930016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.930016 (E_RNA) where: Base-Base interactions energy: -563.263 where: short stacking energy: -263.852 Base-Backbone interact. energy: -0.716 local terms energy: -324.951224 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -46.291 tors. eta vs tors. theta energy: -49.575 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: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -692.804095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.804095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.804095 (E_RNA) where: Base-Base interactions energy: -400.203 where: short stacking energy: -189.682 Base-Backbone interact. energy: 2.001 local terms energy: -294.602227 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -74.725 flat angles C4'-P-C4' energy: -89.932 flat angles P-C4'-P energy: -36.300 tors. eta vs tors. theta energy: -22.908 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: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1670.620120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.620120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.620120 (E_RNA) where: Base-Base interactions energy: -1162.024 where: short stacking energy: -469.583 Base-Backbone interact. energy: 0.337 local terms energy: -508.933041 where: bonds (distance) C4'-P energy: -101.113 bonds (distance) P-C4' energy: -103.960 flat angles C4'-P-C4' energy: -114.034 flat angles P-C4'-P energy: -64.474 tors. eta vs tors. theta energy: -125.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1657.257711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.257711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.257711 (E_RNA) where: Base-Base interactions energy: -1176.249 where: short stacking energy: -473.746 Base-Backbone interact. energy: 0.785 local terms energy: -481.793440 where: bonds (distance) C4'-P energy: -94.076 bonds (distance) P-C4' energy: -87.603 flat angles C4'-P-C4' energy: -104.685 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -120.859 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: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1564.159601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.159601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.159601 (E_RNA) where: Base-Base interactions energy: -1095.759 where: short stacking energy: -482.200 Base-Backbone interact. energy: -2.259 local terms energy: -466.141071 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -77.863 flat angles C4'-P-C4' energy: -98.538 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: -128.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1544.983342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.983342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.983342 (E_RNA) where: Base-Base interactions energy: -1086.259 where: short stacking energy: -463.600 Base-Backbone interact. energy: -3.048 local terms energy: -455.675706 where: bonds (distance) C4'-P energy: -86.173 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -95.621 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -118.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1420.355679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.355679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.355679 (E_RNA) where: Base-Base interactions energy: -971.966 where: short stacking energy: -427.668 Base-Backbone interact. energy: -0.190 local terms energy: -448.200511 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -84.274 flat angles C4'-P-C4' energy: -97.296 flat angles P-C4'-P energy: -61.047 tors. eta vs tors. theta energy: -117.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1269.782091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.782091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.782091 (E_RNA) where: Base-Base interactions energy: -858.245 where: short stacking energy: -364.942 Base-Backbone interact. energy: -0.131 local terms energy: -411.406364 where: bonds (distance) C4'-P energy: -78.218 bonds (distance) P-C4' energy: -86.007 flat angles C4'-P-C4' energy: -90.476 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -93.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1171.492246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.492246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.492246 (E_RNA) where: Base-Base interactions energy: -798.643 where: short stacking energy: -378.011 Base-Backbone interact. energy: -0.748 local terms energy: -372.101149 where: bonds (distance) C4'-P energy: -72.245 bonds (distance) P-C4' energy: -86.199 flat angles C4'-P-C4' energy: -71.268 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -95.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1007.830330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.830330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.830330 (E_RNA) where: Base-Base interactions energy: -670.418 where: short stacking energy: -304.175 Base-Backbone interact. energy: -2.893 local terms energy: -334.518744 where: bonds (distance) C4'-P energy: -84.183 bonds (distance) P-C4' energy: -74.275 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -63.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -898.496779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.496779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.496779 (E_RNA) where: Base-Base interactions energy: -590.217 where: short stacking energy: -268.212 Base-Backbone interact. energy: -0.641 local terms energy: -307.638977 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -86.816 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: -36.319 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: 233 Temperature: 1.350000 Total energy: -607.864333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.864333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.864333 (E_RNA) where: Base-Base interactions energy: -327.922 where: short stacking energy: -171.610 Base-Backbone interact. energy: 0.662 local terms energy: -280.603801 where: bonds (distance) C4'-P energy: -83.977 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -69.321 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: -1.727 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: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1683.557537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.557537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.557537 (E_RNA) where: Base-Base interactions energy: -1197.559 where: short stacking energy: -463.877 Base-Backbone interact. energy: -5.670 local terms energy: -480.328236 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -98.171 flat angles C4'-P-C4' energy: -104.374 flat angles P-C4'-P energy: -69.593 tors. eta vs tors. theta energy: -113.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1632.110468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.110468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.110468 (E_RNA) where: Base-Base interactions energy: -1148.749 where: short stacking energy: -460.863 Base-Backbone interact. energy: 0.815 local terms energy: -484.176901 where: bonds (distance) C4'-P energy: -94.565 bonds (distance) P-C4' energy: -97.437 flat angles C4'-P-C4' energy: -104.968 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -120.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1597.343547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.343547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.343547 (E_RNA) where: Base-Base interactions energy: -1128.223 where: short stacking energy: -482.471 Base-Backbone interact. energy: -1.927 local terms energy: -467.193795 where: bonds (distance) C4'-P energy: -88.245 bonds (distance) P-C4' energy: -85.192 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -63.039 tors. eta vs tors. theta energy: -132.462 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: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1542.988658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.988658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.988658 (E_RNA) where: Base-Base interactions energy: -1053.790 where: short stacking energy: -450.589 Base-Backbone interact. energy: -2.245 local terms energy: -486.954485 where: bonds (distance) C4'-P energy: -80.876 bonds (distance) P-C4' energy: -82.874 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -83.350 tors. eta vs tors. theta energy: -131.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1377.829315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.829315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.829315 (E_RNA) where: Base-Base interactions energy: -938.472 where: short stacking energy: -402.963 Base-Backbone interact. energy: -0.539 local terms energy: -438.818099 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -83.136 flat angles C4'-P-C4' energy: -92.538 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -110.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1361.556414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.556414 (E_RNA) where: Base-Base interactions energy: -947.885 where: short stacking energy: -397.924 Base-Backbone interact. energy: 2.391 local terms energy: -416.063048 where: bonds (distance) C4'-P energy: -87.937 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -85.307 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -112.660 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: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1105.579609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.579609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.579609 (E_RNA) where: Base-Base interactions energy: -730.426 where: short stacking energy: -345.301 Base-Backbone interact. energy: 0.036 local terms energy: -375.189215 where: bonds (distance) C4'-P energy: -68.994 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -75.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1040.862013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.862013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.862013 (E_RNA) where: Base-Base interactions energy: -663.408 where: short stacking energy: -273.278 Base-Backbone interact. energy: -1.266 local terms energy: -376.188491 where: bonds (distance) C4'-P energy: -74.636 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -94.538 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -67.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -879.137246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.137246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.137246 (E_RNA) where: Base-Base interactions energy: -571.965 where: short stacking energy: -255.001 Base-Backbone interact. energy: -2.369 local terms energy: -304.802894 where: bonds (distance) C4'-P energy: -79.978 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -74.250 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -22.512 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -591.543202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.543202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.543202 (E_RNA) where: Base-Base interactions energy: -319.284 where: short stacking energy: -168.417 Base-Backbone interact. energy: 0.387 local terms energy: -272.645506 where: bonds (distance) C4'-P energy: -82.889 bonds (distance) P-C4' energy: -86.802 flat angles C4'-P-C4' energy: -64.822 flat angles P-C4'-P energy: -42.931 tors. eta vs tors. theta energy: 4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1711.260245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.260245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.260245 (E_RNA) where: Base-Base interactions energy: -1230.059 where: short stacking energy: -470.094 Base-Backbone interact. energy: -0.824 local terms energy: -480.377835 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -101.680 flat angles C4'-P-C4' energy: -106.066 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -117.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1596.203270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.203270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.203270 (E_RNA) where: Base-Base interactions energy: -1134.409 where: short stacking energy: -451.211 Base-Backbone interact. energy: 0.542 local terms energy: -462.336206 where: bonds (distance) C4'-P energy: -87.672 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -95.203 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -123.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1565.080260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.080260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.080260 (E_RNA) where: Base-Base interactions energy: -1105.629 where: short stacking energy: -460.816 Base-Backbone interact. energy: -2.259 local terms energy: -457.191526 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -91.606 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -57.623 tors. eta vs tors. theta energy: -112.854 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: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1519.558288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.558288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.558288 (E_RNA) where: Base-Base interactions energy: -1043.853 where: short stacking energy: -448.841 Base-Backbone interact. energy: -1.400 local terms energy: -474.305526 where: bonds (distance) C4'-P energy: -85.226 bonds (distance) P-C4' energy: -95.599 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -63.756 tors. eta vs tors. theta energy: -118.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1352.494087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.494087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.494087 (E_RNA) where: Base-Base interactions energy: -921.037 where: short stacking energy: -399.954 Base-Backbone interact. energy: -1.995 local terms energy: -429.461492 where: bonds (distance) C4'-P energy: -90.518 bonds (distance) P-C4' energy: -81.029 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -67.862 tors. eta vs tors. theta energy: -102.225 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: 6, replica: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1403.369969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.369969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.369969 (E_RNA) where: Base-Base interactions energy: -993.948 where: short stacking energy: -417.180 Base-Backbone interact. energy: -0.575 local terms energy: -408.846707 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -71.807 flat angles C4'-P-C4' energy: -92.926 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -113.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1107.011080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.011080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.011080 (E_RNA) where: Base-Base interactions energy: -748.788 where: short stacking energy: -347.234 Base-Backbone interact. energy: -1.579 local terms energy: -356.643448 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -78.239 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -83.286 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1040.714378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.714378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.714378 (E_RNA) where: Base-Base interactions energy: -635.566 where: short stacking energy: -301.150 Base-Backbone interact. energy: -1.631 local terms energy: -403.516991 where: bonds (distance) C4'-P energy: -78.078 bonds (distance) P-C4' energy: -91.278 flat angles C4'-P-C4' energy: -103.357 flat angles P-C4'-P energy: -58.375 tors. eta vs tors. theta energy: -72.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -834.877357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.877357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.877357 (E_RNA) where: Base-Base interactions energy: -551.450 where: short stacking energy: -263.704 Base-Backbone interact. energy: 4.824 local terms energy: -288.251213 where: bonds (distance) C4'-P energy: -72.987 bonds (distance) P-C4' energy: -69.314 flat angles C4'-P-C4' energy: -76.182 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: -31.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -649.613541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.613541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.613541 (E_RNA) where: Base-Base interactions energy: -362.523 where: short stacking energy: -173.827 Base-Backbone interact. energy: 4.196 local terms energy: -291.286403 where: bonds (distance) C4'-P energy: -80.857 bonds (distance) P-C4' energy: -88.416 flat angles C4'-P-C4' energy: -68.686 flat angles P-C4'-P energy: -37.407 tors. eta vs tors. theta energy: -15.921 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: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1706.838941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.838941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.838941 (E_RNA) where: Base-Base interactions energy: -1223.074 where: short stacking energy: -465.802 Base-Backbone interact. energy: 3.725 local terms energy: -487.489792 where: bonds (distance) C4'-P energy: -100.150 bonds (distance) P-C4' energy: -100.341 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -65.264 tors. eta vs tors. theta energy: -112.809 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: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1639.998440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.998440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.998440 (E_RNA) where: Base-Base interactions energy: -1165.573 where: short stacking energy: -476.541 Base-Backbone interact. energy: 2.993 local terms energy: -477.418107 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -95.234 flat angles C4'-P-C4' energy: -98.187 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -124.113 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1583.808840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.808840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.808840 (E_RNA) where: Base-Base interactions energy: -1111.272 where: short stacking energy: -471.849 Base-Backbone interact. energy: -1.146 local terms energy: -471.390439 where: bonds (distance) C4'-P energy: -77.758 bonds (distance) P-C4' energy: -82.867 flat angles C4'-P-C4' energy: -99.747 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -138.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1535.362352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.362352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.362352 (E_RNA) where: Base-Base interactions energy: -1057.103 where: short stacking energy: -442.727 Base-Backbone interact. energy: -0.543 local terms energy: -477.716400 where: bonds (distance) C4'-P energy: -88.368 bonds (distance) P-C4' energy: -95.450 flat angles C4'-P-C4' energy: -102.419 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -127.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1466.456850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.456850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.456850 (E_RNA) where: Base-Base interactions energy: -1002.999 where: short stacking energy: -436.172 Base-Backbone interact. energy: -1.354 local terms energy: -462.104587 where: bonds (distance) C4'-P energy: -97.106 bonds (distance) P-C4' energy: -81.943 flat angles C4'-P-C4' energy: -100.973 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -113.134 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: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1342.740684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.740684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.740684 (E_RNA) where: Base-Base interactions energy: -934.531 where: short stacking energy: -387.658 Base-Backbone interact. energy: -5.590 local terms energy: -402.619825 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -74.954 flat angles C4'-P-C4' energy: -88.506 flat angles P-C4'-P energy: -61.940 tors. eta vs tors. theta energy: -90.639 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: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1063.318080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.318080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.318080 (E_RNA) where: Base-Base interactions energy: -688.036 where: short stacking energy: -316.550 Base-Backbone interact. energy: -2.410 local terms energy: -372.872294 where: bonds (distance) C4'-P energy: -81.401 bonds (distance) P-C4' energy: -66.910 flat angles C4'-P-C4' energy: -94.711 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -79.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1065.865471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.865471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.865471 (E_RNA) where: Base-Base interactions energy: -705.714 where: short stacking energy: -317.548 Base-Backbone interact. energy: -1.155 local terms energy: -358.996458 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -84.016 flat angles P-C4'-P energy: -57.011 tors. eta vs tors. theta energy: -69.018 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: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -744.467637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.467637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.467637 (E_RNA) where: Base-Base interactions energy: -462.652 where: short stacking energy: -207.780 Base-Backbone interact. energy: 1.658 local terms energy: -283.473310 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -86.273 flat angles C4'-P-C4' energy: -60.733 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -13.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -607.983161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.983161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.983161 (E_RNA) where: Base-Base interactions energy: -336.936 where: short stacking energy: -176.500 Base-Backbone interact. energy: 0.290 local terms energy: -271.337484 where: bonds (distance) C4'-P energy: -83.662 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -34.848 tors. eta vs tors. theta energy: -12.844 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: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1716.135824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.135824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.135824 (E_RNA) where: Base-Base interactions energy: -1216.299 where: short stacking energy: -474.193 Base-Backbone interact. energy: -4.090 local terms energy: -495.746852 where: bonds (distance) C4'-P energy: -94.099 bonds (distance) P-C4' energy: -98.794 flat angles C4'-P-C4' energy: -115.577 flat angles P-C4'-P energy: -76.609 tors. eta vs tors. theta energy: -110.668 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: 237 Temperature: 0.950000 Total energy: -1603.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.732879 (E_RNA) where: Base-Base interactions energy: -1135.324 where: short stacking energy: -464.888 Base-Backbone interact. energy: 0.455 local terms energy: -468.864170 where: bonds (distance) C4'-P energy: -95.324 bonds (distance) P-C4' energy: -85.670 flat angles C4'-P-C4' energy: -102.020 flat angles P-C4'-P energy: -59.221 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: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1564.647771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.647771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.647771 (E_RNA) where: Base-Base interactions energy: -1094.557 where: short stacking energy: -461.015 Base-Backbone interact. energy: 0.286 local terms energy: -470.376598 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -125.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1541.576602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.576602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.576602 (E_RNA) where: Base-Base interactions energy: -1067.900 where: short stacking energy: -444.282 Base-Backbone interact. energy: -2.329 local terms energy: -471.348158 where: bonds (distance) C4'-P energy: -92.931 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -97.953 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -119.324 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: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1422.519451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.519451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.519451 (E_RNA) where: Base-Base interactions energy: -974.491 where: short stacking energy: -434.219 Base-Backbone interact. energy: -1.885 local terms energy: -446.143726 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -86.676 flat angles C4'-P-C4' energy: -92.861 flat angles P-C4'-P energy: -67.951 tors. eta vs tors. theta energy: -117.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1329.099067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.099067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.099067 (E_RNA) where: Base-Base interactions energy: -914.558 where: short stacking energy: -365.792 Base-Backbone interact. energy: -2.803 local terms energy: -411.738240 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -84.906 flat angles C4'-P-C4' energy: -92.418 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -94.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1134.076689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.076689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.076689 (E_RNA) where: Base-Base interactions energy: -745.388 where: short stacking energy: -323.046 Base-Backbone interact. energy: -1.757 local terms energy: -386.931892 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -87.287 flat angles C4'-P-C4' energy: -79.799 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -75.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1089.731954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.731954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.731954 (E_RNA) where: Base-Base interactions energy: -704.601 where: short stacking energy: -319.999 Base-Backbone interact. energy: -0.720 local terms energy: -384.410484 where: bonds (distance) C4'-P energy: -74.955 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -92.717 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -82.240 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: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -767.987575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.987575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.987575 (E_RNA) where: Base-Base interactions energy: -465.875 where: short stacking energy: -212.252 Base-Backbone interact. energy: -2.221 local terms energy: -299.891408 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -88.625 flat angles C4'-P-C4' energy: -82.277 flat angles P-C4'-P energy: -24.694 tors. eta vs tors. theta energy: -24.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -597.763697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.763697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.763697 (E_RNA) where: Base-Base interactions energy: -320.811 where: short stacking energy: -181.175 Base-Backbone interact. energy: -1.444 local terms energy: -275.508424 where: bonds (distance) C4'-P energy: -68.286 bonds (distance) P-C4' energy: -76.765 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -57.596 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1700.323405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.323405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.323405 (E_RNA) where: Base-Base interactions energy: -1204.682 where: short stacking energy: -462.162 Base-Backbone interact. energy: -4.940 local terms energy: -490.700899 where: bonds (distance) C4'-P energy: -93.407 bonds (distance) P-C4' energy: -102.154 flat angles C4'-P-C4' energy: -108.831 flat angles P-C4'-P energy: -72.575 tors. eta vs tors. theta energy: -113.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1595.514573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.514573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.514573 (E_RNA) where: Base-Base interactions energy: -1118.547 where: short stacking energy: -464.714 Base-Backbone interact. energy: -2.503 local terms energy: -474.464271 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -74.013 flat angles C4'-P-C4' energy: -107.889 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -121.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1585.846740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.846740 (E_RNA) where: Base-Base interactions energy: -1096.842 where: short stacking energy: -477.998 Base-Backbone interact. energy: -2.125 local terms energy: -486.880363 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -91.743 flat angles C4'-P-C4' energy: -99.221 flat angles P-C4'-P energy: -68.454 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: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1506.264466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.264466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.264466 (E_RNA) where: Base-Base interactions energy: -1039.065 where: short stacking energy: -439.074 Base-Backbone interact. energy: -2.425 local terms energy: -464.774402 where: bonds (distance) C4'-P energy: -82.399 bonds (distance) P-C4' energy: -100.259 flat angles C4'-P-C4' energy: -98.955 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: -111.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1440.998421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.998421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.998421 (E_RNA) where: Base-Base interactions energy: -984.752 where: short stacking energy: -463.765 Base-Backbone interact. energy: 2.617 local terms energy: -458.862726 where: bonds (distance) C4'-P energy: -81.904 bonds (distance) P-C4' energy: -81.628 flat angles C4'-P-C4' energy: -94.062 flat angles P-C4'-P energy: -67.312 tors. eta vs tors. theta energy: -133.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1319.874196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.874196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.874196 (E_RNA) where: Base-Base interactions energy: -941.069 where: short stacking energy: -398.129 Base-Backbone interact. energy: -1.331 local terms energy: -377.474294 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -90.240 flat angles P-C4'-P energy: -38.941 tors. eta vs tors. theta energy: -93.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1139.275553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.275553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.275553 (E_RNA) where: Base-Base interactions energy: -787.738 where: short stacking energy: -340.130 Base-Backbone interact. energy: -3.636 local terms energy: -347.901011 where: bonds (distance) C4'-P energy: -69.963 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -89.296 flat angles P-C4'-P energy: -41.857 tors. eta vs tors. theta energy: -73.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1006.724326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.724326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.724326 (E_RNA) where: Base-Base interactions energy: -667.601 where: short stacking energy: -303.363 Base-Backbone interact. energy: -1.561 local terms energy: -337.562139 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -66.776 flat angles C4'-P-C4' energy: -74.843 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -73.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -781.896294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.896294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.896294 (E_RNA) where: Base-Base interactions energy: -503.638 where: short stacking energy: -226.119 Base-Backbone interact. energy: 5.990 local terms energy: -284.248259 where: bonds (distance) C4'-P energy: -61.131 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -87.903 flat angles P-C4'-P energy: -47.843 tors. eta vs tors. theta energy: -20.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -585.239313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.239313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.239313 (E_RNA) where: Base-Base interactions energy: -307.916 where: short stacking energy: -169.963 Base-Backbone interact. energy: 4.430 local terms energy: -281.753302 where: bonds (distance) C4'-P energy: -84.607 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -62.768 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -9.467 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: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1726.855717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.855717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.855717 (E_RNA) where: Base-Base interactions energy: -1227.612 where: short stacking energy: -489.278 Base-Backbone interact. energy: -5.558 local terms energy: -493.686288 where: bonds (distance) C4'-P energy: -97.058 bonds (distance) P-C4' energy: -99.104 flat angles C4'-P-C4' energy: -104.164 flat angles P-C4'-P energy: -71.224 tors. eta vs tors. theta energy: -122.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1605.502453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.502453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.502453 (E_RNA) where: Base-Base interactions energy: -1127.364 where: short stacking energy: -442.759 Base-Backbone interact. energy: 1.986 local terms energy: -480.124984 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -97.135 flat angles C4'-P-C4' energy: -100.390 flat angles P-C4'-P energy: -81.791 tors. eta vs tors. theta energy: -113.038 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: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1593.747409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.747409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.747409 (E_RNA) where: Base-Base interactions energy: -1117.976 where: short stacking energy: -471.726 Base-Backbone interact. energy: -0.246 local terms energy: -475.525016 where: bonds (distance) C4'-P energy: -88.623 bonds (distance) P-C4' energy: -93.453 flat angles C4'-P-C4' energy: -102.750 flat angles P-C4'-P energy: -59.080 tors. eta vs tors. theta energy: -131.620 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: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1530.384368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.384368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.384368 (E_RNA) where: Base-Base interactions energy: -1064.281 where: short stacking energy: -450.635 Base-Backbone interact. energy: -3.824 local terms energy: -462.279206 where: bonds (distance) C4'-P energy: -92.099 bonds (distance) P-C4' energy: -78.215 flat angles C4'-P-C4' energy: -97.253 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: -121.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1416.641507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.641507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.641507 (E_RNA) where: Base-Base interactions energy: -947.903 where: short stacking energy: -417.853 Base-Backbone interact. energy: -2.065 local terms energy: -466.674375 where: bonds (distance) C4'-P energy: -93.905 bonds (distance) P-C4' energy: -94.955 flat angles C4'-P-C4' energy: -91.959 flat angles P-C4'-P energy: -64.823 tors. eta vs tors. theta energy: -121.031 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: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1392.492762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.492762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.492762 (E_RNA) where: Base-Base interactions energy: -958.041 where: short stacking energy: -391.196 Base-Backbone interact. energy: -1.962 local terms energy: -432.489712 where: bonds (distance) C4'-P energy: -90.151 bonds (distance) P-C4' energy: -94.669 flat angles C4'-P-C4' energy: -95.831 flat angles P-C4'-P energy: -57.377 tors. eta vs tors. theta energy: -94.462 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: 239 Temperature: 1.200000 Total energy: -1176.774210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.774210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.774210 (E_RNA) where: Base-Base interactions energy: -823.473 where: short stacking energy: -350.332 Base-Backbone interact. energy: 0.538 local terms energy: -353.839473 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -74.623 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -65.366 tors. eta vs tors. theta energy: -69.302 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: 239 Temperature: 1.250000 Total energy: -997.978407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.978407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.978407 (E_RNA) where: Base-Base interactions energy: -642.005 where: short stacking energy: -296.567 Base-Backbone interact. energy: -3.214 local terms energy: -352.759560 where: bonds (distance) C4'-P energy: -82.511 bonds (distance) P-C4' energy: -72.331 flat angles C4'-P-C4' energy: -83.449 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -70.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -767.000268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.000268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.000268 (E_RNA) where: Base-Base interactions energy: -493.792 where: short stacking energy: -243.186 Base-Backbone interact. energy: -1.020 local terms energy: -272.187636 where: bonds (distance) C4'-P energy: -71.799 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -41.735 tors. eta vs tors. theta energy: -33.924 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: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -614.712079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.712079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.712079 (E_RNA) where: Base-Base interactions energy: -325.912 where: short stacking energy: -180.448 Base-Backbone interact. energy: -0.159 local terms energy: -288.640940 where: bonds (distance) C4'-P energy: -78.488 bonds (distance) P-C4' energy: -82.268 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -51.641 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1712.381125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.381125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.381125 (E_RNA) where: Base-Base interactions energy: -1213.962 where: short stacking energy: -481.066 Base-Backbone interact. energy: -2.915 local terms energy: -495.504119 where: bonds (distance) C4'-P energy: -89.633 bonds (distance) P-C4' energy: -100.079 flat angles C4'-P-C4' energy: -109.615 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -123.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1625.008864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.008864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.008864 (E_RNA) where: Base-Base interactions energy: -1157.230 where: short stacking energy: -480.112 Base-Backbone interact. energy: -0.395 local terms energy: -467.383294 where: bonds (distance) C4'-P energy: -90.466 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -116.852 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: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1563.571471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.571471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.571471 (E_RNA) where: Base-Base interactions energy: -1102.477 where: short stacking energy: -454.337 Base-Backbone interact. energy: 1.985 local terms energy: -463.079336 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -88.341 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -55.212 tors. eta vs tors. theta energy: -123.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1557.247083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.247083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.247083 (E_RNA) where: Base-Base interactions energy: -1077.601 where: short stacking energy: -459.045 Base-Backbone interact. energy: -2.069 local terms energy: -477.576972 where: bonds (distance) C4'-P energy: -92.213 bonds (distance) P-C4' energy: -97.663 flat angles C4'-P-C4' energy: -103.685 flat angles P-C4'-P energy: -64.967 tors. eta vs tors. theta energy: -119.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1458.656521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.656521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.656521 (E_RNA) where: Base-Base interactions energy: -1009.422 where: short stacking energy: -442.398 Base-Backbone interact. energy: -0.461 local terms energy: -448.773722 where: bonds (distance) C4'-P energy: -81.855 bonds (distance) P-C4' energy: -97.458 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: -126.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1360.480764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.480764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.480764 (E_RNA) where: Base-Base interactions energy: -944.325 where: short stacking energy: -391.319 Base-Backbone interact. energy: -3.318 local terms energy: -412.838233 where: bonds (distance) C4'-P energy: -79.004 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -54.738 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1093.856599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.856599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.856599 (E_RNA) where: Base-Base interactions energy: -721.053 where: short stacking energy: -325.291 Base-Backbone interact. energy: -3.083 local terms energy: -369.720394 where: bonds (distance) C4'-P energy: -75.390 bonds (distance) P-C4' energy: -89.144 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -69.981 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: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -972.885208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.885208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.885208 (E_RNA) where: Base-Base interactions energy: -651.796 where: short stacking energy: -287.346 Base-Backbone interact. energy: 0.396 local terms energy: -321.485675 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -83.212 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -55.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -779.361159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.361159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.361159 (E_RNA) where: Base-Base interactions energy: -484.639 where: short stacking energy: -215.164 Base-Backbone interact. energy: 4.996 local terms energy: -299.717861 where: bonds (distance) C4'-P energy: -72.924 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -36.829 tors. eta vs tors. theta energy: -33.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -611.882642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.882642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.882642 (E_RNA) where: Base-Base interactions energy: -347.417 where: short stacking energy: -183.995 Base-Backbone interact. energy: 1.776 local terms energy: -266.241953 where: bonds (distance) C4'-P energy: -71.360 bonds (distance) P-C4' energy: -64.788 flat angles C4'-P-C4' energy: -77.040 flat angles P-C4'-P energy: -35.890 tors. eta vs tors. theta energy: -17.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1696.227922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.227922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.227922 (E_RNA) where: Base-Base interactions energy: -1212.871 where: short stacking energy: -474.574 Base-Backbone interact. energy: -5.042 local terms energy: -478.314704 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -101.279 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: -114.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1608.012153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.012153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.012153 (E_RNA) where: Base-Base interactions energy: -1103.647 where: short stacking energy: -483.204 Base-Backbone interact. energy: 1.119 local terms energy: -505.484428 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -98.839 flat angles C4'-P-C4' energy: -110.529 flat angles P-C4'-P energy: -72.011 tors. eta vs tors. theta energy: -133.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1577.015624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.015624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.015624 (E_RNA) where: Base-Base interactions energy: -1109.471 where: short stacking energy: -457.168 Base-Backbone interact. energy: -1.676 local terms energy: -465.868326 where: bonds (distance) C4'-P energy: -91.709 bonds (distance) P-C4' energy: -93.241 flat angles C4'-P-C4' energy: -105.434 flat angles P-C4'-P energy: -67.395 tors. eta vs tors. theta energy: -108.090 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: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1543.269885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.269885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.269885 (E_RNA) where: Base-Base interactions energy: -1077.112 where: short stacking energy: -460.116 Base-Backbone interact. energy: -1.218 local terms energy: -464.940015 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -90.230 flat angles C4'-P-C4' energy: -101.434 flat angles P-C4'-P energy: -59.015 tors. eta vs tors. theta energy: -122.113 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: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1474.985760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.985760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.985760 (E_RNA) where: Base-Base interactions energy: -999.304 where: short stacking energy: -457.440 Base-Backbone interact. energy: -1.093 local terms energy: -474.588943 where: bonds (distance) C4'-P energy: -73.010 bonds (distance) P-C4' energy: -94.125 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -139.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1351.719767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.719767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.719767 (E_RNA) where: Base-Base interactions energy: -944.009 where: short stacking energy: -375.147 Base-Backbone interact. energy: -1.576 local terms energy: -406.134964 where: bonds (distance) C4'-P energy: -88.521 bonds (distance) P-C4' energy: -85.821 flat angles C4'-P-C4' energy: -94.704 flat angles P-C4'-P energy: -51.543 tors. eta vs tors. theta energy: -85.546 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: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1030.534088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.534088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.534088 (E_RNA) where: Base-Base interactions energy: -682.785 where: short stacking energy: -292.536 Base-Backbone interact. energy: 0.064 local terms energy: -347.813766 where: bonds (distance) C4'-P energy: -79.903 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -83.129 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: -50.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -934.299659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.299659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.299659 (E_RNA) where: Base-Base interactions energy: -607.569 where: short stacking energy: -277.634 Base-Backbone interact. energy: -1.634 local terms energy: -325.096411 where: bonds (distance) C4'-P energy: -63.279 bonds (distance) P-C4' energy: -80.706 flat angles C4'-P-C4' energy: -88.467 flat angles P-C4'-P energy: -56.574 tors. eta vs tors. theta energy: -36.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -785.327071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.327071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.327071 (E_RNA) where: Base-Base interactions energy: -464.845 where: short stacking energy: -207.484 Base-Backbone interact. energy: 2.343 local terms energy: -322.824912 where: bonds (distance) C4'-P energy: -85.829 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -27.651 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: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -651.955549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.955549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.955549 (E_RNA) where: Base-Base interactions energy: -389.431 where: short stacking energy: -183.720 Base-Backbone interact. energy: 0.572 local terms energy: -263.097273 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -37.325 tors. eta vs tors. theta energy: -11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1717.091671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.091671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.091671 (E_RNA) where: Base-Base interactions energy: -1222.905 where: short stacking energy: -474.364 Base-Backbone interact. energy: -1.528 local terms energy: -492.658039 where: bonds (distance) C4'-P energy: -89.064 bonds (distance) P-C4' energy: -106.892 flat angles C4'-P-C4' energy: -110.907 flat angles P-C4'-P energy: -66.112 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: 2, replica: 9 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1642.597375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.597375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.597375 (E_RNA) where: Base-Base interactions energy: -1134.138 where: short stacking energy: -485.079 Base-Backbone interact. energy: -1.599 local terms energy: -506.859959 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -98.467 flat angles C4'-P-C4' energy: -108.361 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: -133.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1566.984772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.984772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.984772 (E_RNA) where: Base-Base interactions energy: -1098.621 where: short stacking energy: -441.772 Base-Backbone interact. energy: -1.800 local terms energy: -466.563198 where: bonds (distance) C4'-P energy: -86.660 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -98.766 flat angles P-C4'-P energy: -68.633 tors. eta vs tors. theta energy: -115.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1559.971421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.971421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.971421 (E_RNA) where: Base-Base interactions energy: -1084.339 where: short stacking energy: -445.537 Base-Backbone interact. energy: -2.853 local terms energy: -472.780074 where: bonds (distance) C4'-P energy: -86.534 bonds (distance) P-C4' energy: -97.289 flat angles C4'-P-C4' energy: -102.271 flat angles P-C4'-P energy: -66.405 tors. eta vs tors. theta energy: -120.281 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1461.222554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.222554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.222554 (E_RNA) where: Base-Base interactions energy: -971.792 where: short stacking energy: -433.065 Base-Backbone interact. energy: -1.740 local terms energy: -487.690756 where: bonds (distance) C4'-P energy: -87.882 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -98.252 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -134.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1300.067148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.067148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.067148 (E_RNA) where: Base-Base interactions energy: -885.450 where: short stacking energy: -368.000 Base-Backbone interact. energy: -1.358 local terms energy: -413.259628 where: bonds (distance) C4'-P energy: -86.012 bonds (distance) P-C4' energy: -86.709 flat angles C4'-P-C4' energy: -92.717 flat angles P-C4'-P energy: -58.114 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: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1115.553342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.553342 (E_RNA) where: Base-Base interactions energy: -738.574 where: short stacking energy: -339.485 Base-Backbone interact. energy: 0.032 local terms energy: -377.011993 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -84.361 flat angles C4'-P-C4' energy: -90.663 flat angles P-C4'-P energy: -54.458 tors. eta vs tors. theta energy: -74.972 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: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -909.528492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.528492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.528492 (E_RNA) where: Base-Base interactions energy: -576.040 where: short stacking energy: -276.566 Base-Backbone interact. energy: -4.474 local terms energy: -329.014794 where: bonds (distance) C4'-P energy: -78.995 bonds (distance) P-C4' energy: -78.445 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -52.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -795.836478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.836478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.836478 (E_RNA) where: Base-Base interactions energy: -482.888 where: short stacking energy: -231.240 Base-Backbone interact. energy: 0.954 local terms energy: -313.902109 where: bonds (distance) C4'-P energy: -69.795 bonds (distance) P-C4' energy: -69.835 flat angles C4'-P-C4' energy: -81.681 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -32.997 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: 242 Temperature: 1.350000 Total energy: -591.276319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.276319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.276319 (E_RNA) where: Base-Base interactions energy: -322.543 where: short stacking energy: -187.802 Base-Backbone interact. energy: 1.085 local terms energy: -269.817975 where: bonds (distance) C4'-P energy: -60.431 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -82.014 flat angles P-C4'-P energy: -32.372 tors. eta vs tors. theta energy: -20.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1713.758094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.758094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.758094 (E_RNA) where: Base-Base interactions energy: -1213.654 where: short stacking energy: -466.748 Base-Backbone interact. energy: -5.314 local terms energy: -494.789753 where: bonds (distance) C4'-P energy: -89.441 bonds (distance) P-C4' energy: -105.228 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -75.051 tors. eta vs tors. theta energy: -111.198 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: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1619.839393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.839393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.839393 (E_RNA) where: Base-Base interactions energy: -1118.954 where: short stacking energy: -482.820 Base-Backbone interact. energy: -3.764 local terms energy: -497.121135 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -111.548 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -142.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1578.833723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.833723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.833723 (E_RNA) where: Base-Base interactions energy: -1124.885 where: short stacking energy: -440.587 Base-Backbone interact. energy: -2.962 local terms energy: -450.986344 where: bonds (distance) C4'-P energy: -72.076 bonds (distance) P-C4' energy: -94.001 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -71.761 tors. eta vs tors. theta energy: -110.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1575.067996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.067996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.067996 (E_RNA) where: Base-Base interactions energy: -1097.502 where: short stacking energy: -453.173 Base-Backbone interact. energy: -0.357 local terms energy: -477.209303 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -77.076 tors. eta vs tors. theta energy: -126.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1447.022784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.022784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.022784 (E_RNA) where: Base-Base interactions energy: -988.836 where: short stacking energy: -431.223 Base-Backbone interact. energy: -1.127 local terms energy: -457.059803 where: bonds (distance) C4'-P energy: -84.319 bonds (distance) P-C4' energy: -91.508 flat angles C4'-P-C4' energy: -93.301 flat angles P-C4'-P energy: -60.015 tors. eta vs tors. theta energy: -127.917 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: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1319.706824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.706824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.706824 (E_RNA) where: Base-Base interactions energy: -901.404 where: short stacking energy: -387.881 Base-Backbone interact. energy: -2.988 local terms energy: -415.314897 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -85.191 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -84.526 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1116.855145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.855145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.855145 (E_RNA) where: Base-Base interactions energy: -722.272 where: short stacking energy: -322.354 Base-Backbone interact. energy: -1.646 local terms energy: -392.937036 where: bonds (distance) C4'-P energy: -98.171 bonds (distance) P-C4' energy: -85.415 flat angles C4'-P-C4' energy: -78.936 flat angles P-C4'-P energy: -65.272 tors. eta vs tors. theta energy: -65.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -915.346790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.346790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.346790 (E_RNA) where: Base-Base interactions energy: -578.933 where: short stacking energy: -255.908 Base-Backbone interact. energy: 0.037 local terms energy: -336.450997 where: bonds (distance) C4'-P energy: -74.527 bonds (distance) P-C4' energy: -75.054 flat angles C4'-P-C4' energy: -82.670 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -48.917 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: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -768.108394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.108394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.108394 (E_RNA) where: Base-Base interactions energy: -435.211 where: short stacking energy: -223.777 Base-Backbone interact. energy: -0.367 local terms energy: -332.530588 where: bonds (distance) C4'-P energy: -83.731 bonds (distance) P-C4' energy: -87.946 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -34.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -609.848875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.848875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.848875 (E_RNA) where: Base-Base interactions energy: -323.309 where: short stacking energy: -176.282 Base-Backbone interact. energy: -1.357 local terms energy: -285.183260 where: bonds (distance) C4'-P energy: -71.616 bonds (distance) P-C4' energy: -82.155 flat angles C4'-P-C4' energy: -68.160 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -15.556 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: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1709.316570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.316570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.316570 (E_RNA) where: Base-Base interactions energy: -1238.132 where: short stacking energy: -472.840 Base-Backbone interact. energy: -1.690 local terms energy: -469.494205 where: bonds (distance) C4'-P energy: -86.123 bonds (distance) P-C4' energy: -91.006 flat angles C4'-P-C4' energy: -106.347 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -121.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1625.311315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.311315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.311315 (E_RNA) where: Base-Base interactions energy: -1141.793 where: short stacking energy: -509.923 Base-Backbone interact. energy: 0.150 local terms energy: -483.667734 where: bonds (distance) C4'-P energy: -100.531 bonds (distance) P-C4' energy: -84.047 flat angles C4'-P-C4' energy: -93.526 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -142.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1580.002824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.002824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.002824 (E_RNA) where: Base-Base interactions energy: -1112.064 where: short stacking energy: -450.637 Base-Backbone interact. energy: -2.229 local terms energy: -465.709567 where: bonds (distance) C4'-P energy: -74.131 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -102.832 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -119.728 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: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1516.701168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.701168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.701168 (E_RNA) where: Base-Base interactions energy: -1086.871 where: short stacking energy: -423.881 Base-Backbone interact. energy: -1.977 local terms energy: -427.853296 where: bonds (distance) C4'-P energy: -75.499 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -88.940 flat angles P-C4'-P energy: -60.092 tors. eta vs tors. theta energy: -115.324 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: 5, replica: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1420.624424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.624424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.624424 (E_RNA) where: Base-Base interactions energy: -962.046 where: short stacking energy: -421.731 Base-Backbone interact. energy: -0.897 local terms energy: -457.681375 where: bonds (distance) C4'-P energy: -88.950 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -63.634 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: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1287.613391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.613391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.613391 (E_RNA) where: Base-Base interactions energy: -927.872 where: short stacking energy: -361.565 Base-Backbone interact. energy: 0.277 local terms energy: -360.018671 where: bonds (distance) C4'-P energy: -73.448 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -79.469 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -81.420 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: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1071.929160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.929160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.929160 (E_RNA) where: Base-Base interactions energy: -710.784 where: short stacking energy: -316.327 Base-Backbone interact. energy: -0.484 local terms energy: -360.661145 where: bonds (distance) C4'-P energy: -75.172 bonds (distance) P-C4' energy: -84.874 flat angles C4'-P-C4' energy: -75.587 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -75.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -927.727160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.727160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.727160 (E_RNA) where: Base-Base interactions energy: -584.205 where: short stacking energy: -284.694 Base-Backbone interact. energy: 1.241 local terms energy: -344.762356 where: bonds (distance) C4'-P energy: -74.196 bonds (distance) P-C4' energy: -85.945 flat angles C4'-P-C4' energy: -80.615 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -59.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -775.294137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.294137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.294137 (E_RNA) where: Base-Base interactions energy: -479.706 where: short stacking energy: -216.447 Base-Backbone interact. energy: 1.305 local terms energy: -296.892978 where: bonds (distance) C4'-P energy: -77.669 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -72.677 flat angles P-C4'-P energy: -42.546 tors. eta vs tors. theta energy: -22.849 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: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -602.986123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.986123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.986123 (E_RNA) where: Base-Base interactions energy: -347.962 where: short stacking energy: -197.837 Base-Backbone interact. energy: 5.588 local terms energy: -260.612628 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -62.140 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -12.482 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: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1686.615087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.615087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.615087 (E_RNA) where: Base-Base interactions energy: -1223.271 where: short stacking energy: -455.321 Base-Backbone interact. energy: -6.789 local terms energy: -456.555523 where: bonds (distance) C4'-P energy: -84.395 bonds (distance) P-C4' energy: -89.532 flat angles C4'-P-C4' energy: -89.987 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -112.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1631.618058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.618058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.618058 (E_RNA) where: Base-Base interactions energy: -1111.679 where: short stacking energy: -484.200 Base-Backbone interact. energy: 3.308 local terms energy: -523.248040 where: bonds (distance) C4'-P energy: -96.120 bonds (distance) P-C4' energy: -98.322 flat angles C4'-P-C4' energy: -108.367 flat angles P-C4'-P energy: -77.809 tors. eta vs tors. theta energy: -142.630 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: 245 Temperature: 1.000000 Total energy: -1574.098342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.098342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.098342 (E_RNA) where: Base-Base interactions energy: -1106.884 where: short stacking energy: -448.709 Base-Backbone interact. energy: -2.629 local terms energy: -464.585005 where: bonds (distance) C4'-P energy: -84.478 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -98.425 flat angles P-C4'-P energy: -67.485 tors. eta vs tors. theta energy: -119.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1521.715736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.715736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.715736 (E_RNA) where: Base-Base interactions energy: -1069.259 where: short stacking energy: -429.256 Base-Backbone interact. energy: 4.731 local terms energy: -457.188083 where: bonds (distance) C4'-P energy: -91.919 bonds (distance) P-C4' energy: -92.239 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -115.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1481.600565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.600565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.600565 (E_RNA) where: Base-Base interactions energy: -1029.024 where: short stacking energy: -464.456 Base-Backbone interact. energy: 6.438 local terms energy: -459.014810 where: bonds (distance) C4'-P energy: -89.230 bonds (distance) P-C4' energy: -89.270 flat angles C4'-P-C4' energy: -91.167 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -128.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1287.331082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.331082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.331082 (E_RNA) where: Base-Base interactions energy: -889.563 where: short stacking energy: -377.142 Base-Backbone interact. energy: 1.444 local terms energy: -399.213007 where: bonds (distance) C4'-P energy: -83.539 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -63.099 tors. eta vs tors. theta energy: -82.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1108.157773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.157773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.157773 (E_RNA) where: Base-Base interactions energy: -726.734 where: short stacking energy: -329.697 Base-Backbone interact. energy: 1.374 local terms energy: -382.797823 where: bonds (distance) C4'-P energy: -73.736 bonds (distance) P-C4' energy: -91.321 flat angles C4'-P-C4' energy: -87.357 flat angles P-C4'-P energy: -57.691 tors. eta vs tors. theta energy: -72.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -967.148648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.148648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.148648 (E_RNA) where: Base-Base interactions energy: -625.331 where: short stacking energy: -286.604 Base-Backbone interact. energy: -0.231 local terms energy: -341.586981 where: bonds (distance) C4'-P energy: -69.678 bonds (distance) P-C4' energy: -87.323 flat angles C4'-P-C4' energy: -75.643 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -55.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -764.597489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.597489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.597489 (E_RNA) where: Base-Base interactions energy: -473.527 where: short stacking energy: -242.104 Base-Backbone interact. energy: 3.344 local terms energy: -294.414209 where: bonds (distance) C4'-P energy: -68.342 bonds (distance) P-C4' energy: -74.383 flat angles C4'-P-C4' energy: -89.163 flat angles P-C4'-P energy: -27.144 tors. eta vs tors. theta energy: -35.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -587.634448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.634448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.634448 (E_RNA) where: Base-Base interactions energy: -326.828 where: short stacking energy: -183.116 Base-Backbone interact. energy: 4.860 local terms energy: -265.666071 where: bonds (distance) C4'-P energy: -68.514 bonds (distance) P-C4' energy: -77.585 flat angles C4'-P-C4' energy: -50.740 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -22.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1706.143186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.143186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.143186 (E_RNA) where: Base-Base interactions energy: -1215.729 where: short stacking energy: -473.902 Base-Backbone interact. energy: -3.659 local terms energy: -486.756060 where: bonds (distance) C4'-P energy: -99.943 bonds (distance) P-C4' energy: -92.630 flat angles C4'-P-C4' energy: -107.087 flat angles P-C4'-P energy: -69.369 tors. eta vs tors. theta energy: -117.728 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: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1575.899047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.899047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.899047 (E_RNA) where: Base-Base interactions energy: -1108.886 where: short stacking energy: -479.795 Base-Backbone interact. energy: -1.563 local terms energy: -465.449915 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -84.563 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -66.983 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1570.884232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.884232 (E_RNA) where: Base-Base interactions energy: -1120.143 where: short stacking energy: -424.446 Base-Backbone interact. energy: -0.982 local terms energy: -449.759157 where: bonds (distance) C4'-P energy: -95.830 bonds (distance) P-C4' energy: -77.749 flat angles C4'-P-C4' energy: -101.566 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -106.247 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: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1562.934875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.934875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.934875 (E_RNA) where: Base-Base interactions energy: -1107.056 where: short stacking energy: -466.922 Base-Backbone interact. energy: -2.083 local terms energy: -453.795777 where: bonds (distance) C4'-P energy: -75.262 bonds (distance) P-C4' energy: -94.149 flat angles C4'-P-C4' energy: -103.295 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -123.010 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: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1439.091433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.091433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.091433 (E_RNA) where: Base-Base interactions energy: -967.725 where: short stacking energy: -423.483 Base-Backbone interact. energy: -2.931 local terms energy: -468.435715 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -92.948 flat angles C4'-P-C4' energy: -103.174 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -124.500 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: 246 Temperature: 1.150000 Total energy: -1282.207925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.207925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.207925 (E_RNA) where: Base-Base interactions energy: -877.846 where: short stacking energy: -378.119 Base-Backbone interact. energy: -2.018 local terms energy: -402.343636 where: bonds (distance) C4'-P energy: -73.312 bonds (distance) P-C4' energy: -87.498 flat angles C4'-P-C4' energy: -90.415 flat angles P-C4'-P energy: -61.471 tors. eta vs tors. theta energy: -89.649 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: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1144.714374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.714374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.714374 (E_RNA) where: Base-Base interactions energy: -749.585 where: short stacking energy: -344.684 Base-Backbone interact. energy: -2.380 local terms energy: -392.749631 where: bonds (distance) C4'-P energy: -94.872 bonds (distance) P-C4' energy: -76.949 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -53.137 tors. eta vs tors. theta energy: -87.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -956.341680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.341680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.341680 (E_RNA) where: Base-Base interactions energy: -601.417 where: short stacking energy: -287.639 Base-Backbone interact. energy: -1.846 local terms energy: -353.079139 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -83.523 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -67.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -793.443588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.443588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.443588 (E_RNA) where: Base-Base interactions energy: -466.206 where: short stacking energy: -239.052 Base-Backbone interact. energy: -0.007 local terms energy: -327.230312 where: bonds (distance) C4'-P energy: -74.552 bonds (distance) P-C4' energy: -67.411 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -49.810 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: 246 Temperature: 1.350000 Total energy: -601.739459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.739459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.739459 (E_RNA) where: Base-Base interactions energy: -344.808 where: short stacking energy: -192.572 Base-Backbone interact. energy: -0.293 local terms energy: -256.638062 where: bonds (distance) C4'-P energy: -58.747 bonds (distance) P-C4' energy: -83.750 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -23.495 tors. eta vs tors. theta energy: -21.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1700.224425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.224425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.224425 (E_RNA) where: Base-Base interactions energy: -1248.226 where: short stacking energy: -471.110 Base-Backbone interact. energy: -2.393 local terms energy: -449.605372 where: bonds (distance) C4'-P energy: -85.364 bonds (distance) P-C4' energy: -92.477 flat angles C4'-P-C4' energy: -105.878 flat angles P-C4'-P energy: -62.385 tors. eta vs tors. theta energy: -103.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1622.703803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.703803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.703803 (E_RNA) where: Base-Base interactions energy: -1171.290 where: short stacking energy: -458.938 Base-Backbone interact. energy: 4.196 local terms energy: -455.609222 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -97.126 flat angles C4'-P-C4' energy: -98.617 flat angles P-C4'-P energy: -52.452 tors. eta vs tors. theta energy: -111.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1573.648234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.648234 (E_RNA) where: Base-Base interactions energy: -1093.729 where: short stacking energy: -473.570 Base-Backbone interact. energy: -2.579 local terms energy: -477.340684 where: bonds (distance) C4'-P energy: -80.731 bonds (distance) P-C4' energy: -82.961 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -142.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1521.865509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.865509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.865509 (E_RNA) where: Base-Base interactions energy: -1046.452 where: short stacking energy: -445.200 Base-Backbone interact. energy: 0.079 local terms energy: -475.492398 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -89.655 flat angles C4'-P-C4' energy: -94.959 flat angles P-C4'-P energy: -72.896 tors. eta vs tors. theta energy: -130.080 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: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1451.466756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.466756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.466756 (E_RNA) where: Base-Base interactions energy: -999.504 where: short stacking energy: -441.178 Base-Backbone interact. energy: -3.692 local terms energy: -448.270680 where: bonds (distance) C4'-P energy: -84.622 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -92.591 flat angles P-C4'-P energy: -62.396 tors. eta vs tors. theta energy: -123.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1270.877357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.877357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.877357 (E_RNA) where: Base-Base interactions energy: -882.074 where: short stacking energy: -383.044 Base-Backbone interact. energy: -0.534 local terms energy: -388.268722 where: bonds (distance) C4'-P energy: -75.445 bonds (distance) P-C4' energy: -71.571 flat angles C4'-P-C4' energy: -102.146 flat angles P-C4'-P energy: -53.332 tors. eta vs tors. theta energy: -85.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1137.000261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.000261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.000261 (E_RNA) where: Base-Base interactions energy: -746.625 where: short stacking energy: -336.502 Base-Backbone interact. energy: -1.701 local terms energy: -388.673771 where: bonds (distance) C4'-P energy: -79.709 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -98.124 flat angles P-C4'-P energy: -52.411 tors. eta vs tors. theta energy: -81.907 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: 247 Temperature: 1.250000 Total energy: -949.351380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.351380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.351380 (E_RNA) where: Base-Base interactions energy: -584.058 where: short stacking energy: -288.520 Base-Backbone interact. energy: -1.273 local terms energy: -364.020159 where: bonds (distance) C4'-P energy: -90.614 bonds (distance) P-C4' energy: -83.242 flat angles C4'-P-C4' energy: -82.316 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -56.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -762.425508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.425508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.425508 (E_RNA) where: Base-Base interactions energy: -455.172 where: short stacking energy: -213.401 Base-Backbone interact. energy: 9.159 local terms energy: -316.412520 where: bonds (distance) C4'-P energy: -80.018 bonds (distance) P-C4' energy: -87.982 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: -36.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -588.654676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.654676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.654676 (E_RNA) where: Base-Base interactions energy: -300.138 where: short stacking energy: -163.870 Base-Backbone interact. energy: 2.112 local terms energy: -290.629428 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -90.097 flat angles C4'-P-C4' energy: -68.534 flat angles P-C4'-P energy: -43.648 tors. eta vs tors. theta energy: -16.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1698.980519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.980519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.980519 (E_RNA) where: Base-Base interactions energy: -1217.499 where: short stacking energy: -500.990 Base-Backbone interact. energy: -2.547 local terms energy: -478.934479 where: bonds (distance) C4'-P energy: -88.679 bonds (distance) P-C4' energy: -89.753 flat angles C4'-P-C4' energy: -108.622 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -121.764 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: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1595.497265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.497265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.497265 (E_RNA) where: Base-Base interactions energy: -1121.527 where: short stacking energy: -431.333 Base-Backbone interact. energy: -4.855 local terms energy: -469.115899 where: bonds (distance) C4'-P energy: -87.577 bonds (distance) P-C4' energy: -95.203 flat angles C4'-P-C4' energy: -94.782 flat angles P-C4'-P energy: -76.502 tors. eta vs tors. theta energy: -115.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1591.758159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.758159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.758159 (E_RNA) where: Base-Base interactions energy: -1097.413 where: short stacking energy: -473.713 Base-Backbone interact. energy: -1.864 local terms energy: -492.480390 where: bonds (distance) C4'-P energy: -92.874 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -101.997 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -133.837 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1506.790453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.790453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.790453 (E_RNA) where: Base-Base interactions energy: -1036.391 where: short stacking energy: -428.634 Base-Backbone interact. energy: -1.871 local terms energy: -468.529112 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -96.863 flat angles C4'-P-C4' energy: -97.732 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -122.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1466.130045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.130045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.130045 (E_RNA) where: Base-Base interactions energy: -1005.022 where: short stacking energy: -443.438 Base-Backbone interact. energy: -0.443 local terms energy: -460.665469 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -94.307 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -127.457 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: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1314.824740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.824740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.824740 (E_RNA) where: Base-Base interactions energy: -913.699 where: short stacking energy: -384.160 Base-Backbone interact. energy: -2.695 local terms energy: -398.430665 where: bonds (distance) C4'-P energy: -83.039 bonds (distance) P-C4' energy: -81.518 flat angles C4'-P-C4' energy: -89.053 flat angles P-C4'-P energy: -42.047 tors. eta vs tors. theta energy: -102.774 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: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1183.289630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.289630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.289630 (E_RNA) where: Base-Base interactions energy: -767.655 where: short stacking energy: -346.850 Base-Backbone interact. energy: -0.669 local terms energy: -414.965707 where: bonds (distance) C4'-P energy: -79.712 bonds (distance) P-C4' energy: -84.652 flat angles C4'-P-C4' energy: -94.179 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -98.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -913.127385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.127385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.127385 (E_RNA) where: Base-Base interactions energy: -580.146 where: short stacking energy: -257.856 Base-Backbone interact. energy: -2.437 local terms energy: -330.544437 where: bonds (distance) C4'-P energy: -68.142 bonds (distance) P-C4' energy: -82.418 flat angles C4'-P-C4' energy: -80.689 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: -46.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -625.691178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.691178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.691178 (E_RNA) where: Base-Base interactions energy: -341.319 where: short stacking energy: -193.275 Base-Backbone interact. energy: 1.631 local terms energy: -286.003662 where: bonds (distance) C4'-P energy: -75.049 bonds (distance) P-C4' energy: -83.567 flat angles C4'-P-C4' energy: -64.795 flat angles P-C4'-P energy: -47.150 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -694.862613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.862613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.862613 (E_RNA) where: Base-Base interactions energy: -402.876 where: short stacking energy: -214.891 Base-Backbone interact. energy: -2.470 local terms energy: -289.517348 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -79.380 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -31.342 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: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1713.890192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.890192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.890192 (E_RNA) where: Base-Base interactions energy: -1225.803 where: short stacking energy: -448.821 Base-Backbone interact. energy: -3.557 local terms energy: -484.530779 where: bonds (distance) C4'-P energy: -91.664 bonds (distance) P-C4' energy: -102.498 flat angles C4'-P-C4' energy: -104.243 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: -115.590 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: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1602.973794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.973794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.973794 (E_RNA) where: Base-Base interactions energy: -1140.950 where: short stacking energy: -463.267 Base-Backbone interact. energy: 0.720 local terms energy: -462.743220 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -94.994 flat angles C4'-P-C4' energy: -98.562 flat angles P-C4'-P energy: -57.947 tors. eta vs tors. theta energy: -120.914 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: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1589.257605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.257605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.257605 (E_RNA) where: Base-Base interactions energy: -1090.894 where: short stacking energy: -477.728 Base-Backbone interact. energy: 1.019 local terms energy: -499.382216 where: bonds (distance) C4'-P energy: -93.902 bonds (distance) P-C4' energy: -84.065 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -140.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1539.671929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.671929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.671929 (E_RNA) where: Base-Base interactions energy: -1097.381 where: short stacking energy: -457.796 Base-Backbone interact. energy: -2.587 local terms energy: -439.704536 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -78.743 flat angles C4'-P-C4' energy: -100.693 flat angles P-C4'-P energy: -64.548 tors. eta vs tors. theta energy: -121.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1481.390929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.390929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.390929 (E_RNA) where: Base-Base interactions energy: -1008.879 where: short stacking energy: -444.659 Base-Backbone interact. energy: -3.166 local terms energy: -469.345229 where: bonds (distance) C4'-P energy: -83.668 bonds (distance) P-C4' energy: -92.379 flat angles C4'-P-C4' energy: -103.808 flat angles P-C4'-P energy: -67.001 tors. eta vs tors. theta energy: -122.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1268.390794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.390794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.390794 (E_RNA) where: Base-Base interactions energy: -875.223 where: short stacking energy: -349.296 Base-Backbone interact. energy: 0.615 local terms energy: -393.783067 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -90.727 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: -89.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1149.286135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.286135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.286135 (E_RNA) where: Base-Base interactions energy: -758.122 where: short stacking energy: -349.574 Base-Backbone interact. energy: 1.088 local terms energy: -392.252348 where: bonds (distance) C4'-P energy: -78.732 bonds (distance) P-C4' energy: -95.501 flat angles C4'-P-C4' energy: -98.532 flat angles P-C4'-P energy: -41.287 tors. eta vs tors. theta energy: -78.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -886.595460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.595460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.595460 (E_RNA) where: Base-Base interactions energy: -580.414 where: short stacking energy: -270.166 Base-Backbone interact. energy: -1.805 local terms energy: -304.376367 where: bonds (distance) C4'-P energy: -72.734 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -79.127 flat angles P-C4'-P energy: -23.711 tors. eta vs tors. theta energy: -46.808 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: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -680.321349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.321349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.321349 (E_RNA) where: Base-Base interactions energy: -386.522 where: short stacking energy: -217.352 Base-Backbone interact. energy: 1.176 local terms energy: -294.975461 where: bonds (distance) C4'-P energy: -75.566 bonds (distance) P-C4' energy: -80.797 flat angles C4'-P-C4' energy: -81.213 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -686.468707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.468707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.468707 (E_RNA) where: Base-Base interactions energy: -422.402 where: short stacking energy: -198.087 Base-Backbone interact. energy: 10.014 local terms energy: -274.081410 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -63.299 flat angles P-C4'-P energy: -45.012 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1732.659647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.659647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.659647 (E_RNA) where: Base-Base interactions energy: -1250.738 where: short stacking energy: -481.944 Base-Backbone interact. energy: -3.094 local terms energy: -478.827585 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -128.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1594.649467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.649467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.649467 (E_RNA) where: Base-Base interactions energy: -1130.954 where: short stacking energy: -476.354 Base-Backbone interact. energy: -1.374 local terms energy: -462.321961 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: -124.333 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: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1562.313819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.313819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.313819 (E_RNA) where: Base-Base interactions energy: -1073.882 where: short stacking energy: -451.747 Base-Backbone interact. energy: 0.455 local terms energy: -488.887639 where: bonds (distance) C4'-P energy: -91.065 bonds (distance) P-C4' energy: -86.935 flat angles C4'-P-C4' energy: -96.857 flat angles P-C4'-P energy: -75.801 tors. eta vs tors. theta energy: -138.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1554.706269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.706269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.706269 (E_RNA) where: Base-Base interactions energy: -1096.612 where: short stacking energy: -453.352 Base-Backbone interact. energy: -3.732 local terms energy: -454.362264 where: bonds (distance) C4'-P energy: -84.719 bonds (distance) P-C4' energy: -91.946 flat angles C4'-P-C4' energy: -90.527 flat angles P-C4'-P energy: -65.369 tors. eta vs tors. theta energy: -121.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1453.873227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.873227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.873227 (E_RNA) where: Base-Base interactions energy: -992.236 where: short stacking energy: -437.351 Base-Backbone interact. energy: 1.660 local terms energy: -463.296496 where: bonds (distance) C4'-P energy: -91.252 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -97.309 flat angles P-C4'-P energy: -62.397 tors. eta vs tors. theta energy: -126.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1300.976924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.976924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.976924 (E_RNA) where: Base-Base interactions energy: -898.995 where: short stacking energy: -370.120 Base-Backbone interact. energy: -5.466 local terms energy: -396.516132 where: bonds (distance) C4'-P energy: -71.963 bonds (distance) P-C4' energy: -78.840 flat angles C4'-P-C4' energy: -89.645 flat angles P-C4'-P energy: -64.314 tors. eta vs tors. theta energy: -91.754 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: 250 Temperature: 1.200000 Total energy: -1154.367946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.367946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.367946 (E_RNA) where: Base-Base interactions energy: -781.436 where: short stacking energy: -344.110 Base-Backbone interact. energy: -1.983 local terms energy: -370.949272 where: bonds (distance) C4'-P energy: -72.617 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -81.897 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -69.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -813.636857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.636857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.636857 (E_RNA) where: Base-Base interactions energy: -510.688 where: short stacking energy: -233.656 Base-Backbone interact. energy: 3.137 local terms energy: -306.086377 where: bonds (distance) C4'-P energy: -92.592 bonds (distance) P-C4' energy: -83.478 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: -25.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -692.228390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.228390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.228390 (E_RNA) where: Base-Base interactions energy: -384.289 where: short stacking energy: -202.394 Base-Backbone interact. energy: -2.086 local terms energy: -305.853345 where: bonds (distance) C4'-P energy: -67.320 bonds (distance) P-C4' energy: -82.539 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -48.855 tors. eta vs tors. theta energy: -32.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -612.592953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.592953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.592953 (E_RNA) where: Base-Base interactions energy: -343.946 where: short stacking energy: -172.192 Base-Backbone interact. energy: 0.563 local terms energy: -269.210004 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -58.353 flat angles P-C4'-P energy: -36.854 tors. eta vs tors. theta energy: -13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1726.441632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.441632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.441632 (E_RNA) where: Base-Base interactions energy: -1229.531 where: short stacking energy: -470.666 Base-Backbone interact. energy: -2.554 local terms energy: -494.356850 where: bonds (distance) C4'-P energy: -93.094 bonds (distance) P-C4' energy: -101.900 flat angles C4'-P-C4' energy: -105.161 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -124.412 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: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1600.902189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.902189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.902189 (E_RNA) where: Base-Base interactions energy: -1136.168 where: short stacking energy: -459.245 Base-Backbone interact. energy: -1.487 local terms energy: -463.247273 where: bonds (distance) C4'-P energy: -84.569 bonds (distance) P-C4' energy: -93.106 flat angles C4'-P-C4' energy: -100.597 flat angles P-C4'-P energy: -67.216 tors. eta vs tors. theta energy: -117.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1577.692058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.692058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.692058 (E_RNA) where: Base-Base interactions energy: -1089.184 where: short stacking energy: -470.593 Base-Backbone interact. energy: -2.057 local terms energy: -486.451366 where: bonds (distance) C4'-P energy: -99.892 bonds (distance) P-C4' energy: -82.417 flat angles C4'-P-C4' energy: -97.965 flat angles P-C4'-P energy: -74.955 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: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1570.958424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.958424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.958424 (E_RNA) where: Base-Base interactions energy: -1099.074 where: short stacking energy: -450.884 Base-Backbone interact. energy: -2.563 local terms energy: -469.321772 where: bonds (distance) C4'-P energy: -91.237 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -102.603 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: -126.990 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: 5, replica: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1448.478523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.478523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.478523 (E_RNA) where: Base-Base interactions energy: -995.566 where: short stacking energy: -422.125 Base-Backbone interact. energy: -3.546 local terms energy: -449.366937 where: bonds (distance) C4'-P energy: -93.188 bonds (distance) P-C4' energy: -76.058 flat angles C4'-P-C4' energy: -99.589 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: -123.693 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: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1268.666569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.666569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.666569 (E_RNA) where: Base-Base interactions energy: -896.796 where: short stacking energy: -380.532 Base-Backbone interact. energy: -3.192 local terms energy: -368.679036 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -81.330 flat angles C4'-P-C4' energy: -81.304 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -80.940 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: 251 Temperature: 1.200000 Total energy: -1150.160514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.160514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.160514 (E_RNA) where: Base-Base interactions energy: -775.452 where: short stacking energy: -330.145 Base-Backbone interact. energy: -3.399 local terms energy: -371.309856 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -75.145 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -56.830 tors. eta vs tors. theta energy: -73.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -842.176644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.176644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.176644 (E_RNA) where: Base-Base interactions energy: -495.538 where: short stacking energy: -243.001 Base-Backbone interact. energy: -0.950 local terms energy: -345.688199 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -83.307 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -47.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -768.125510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.125510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.125510 (E_RNA) where: Base-Base interactions energy: -470.708 where: short stacking energy: -235.063 Base-Backbone interact. energy: 4.015 local terms energy: -301.432372 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -76.372 flat angles P-C4'-P energy: -41.618 tors. eta vs tors. theta energy: -39.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -583.213063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.213063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.213063 (E_RNA) where: Base-Base interactions energy: -297.860 where: short stacking energy: -186.066 Base-Backbone interact. energy: 0.210 local terms energy: -285.562609 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -82.455 flat angles C4'-P-C4' energy: -79.541 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1720.511919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.511919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.511919 (E_RNA) where: Base-Base interactions energy: -1234.595 where: short stacking energy: -478.800 Base-Backbone interact. energy: -3.882 local terms energy: -482.034717 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -90.519 flat angles C4'-P-C4' energy: -107.219 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -114.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1624.004572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.004572 (E_RNA) where: Base-Base interactions energy: -1139.858 where: short stacking energy: -449.211 Base-Backbone interact. energy: -0.969 local terms energy: -483.177240 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -99.214 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -120.699 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: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1620.359334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.359334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.359334 (E_RNA) where: Base-Base interactions energy: -1132.797 where: short stacking energy: -479.770 Base-Backbone interact. energy: -1.918 local terms energy: -485.644415 where: bonds (distance) C4'-P energy: -98.054 bonds (distance) P-C4' energy: -87.389 flat angles C4'-P-C4' energy: -110.470 flat angles P-C4'-P energy: -62.659 tors. eta vs tors. theta energy: -127.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1532.771988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.771988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.771988 (E_RNA) where: Base-Base interactions energy: -1067.534 where: short stacking energy: -461.605 Base-Backbone interact. energy: -2.772 local terms energy: -462.466736 where: bonds (distance) C4'-P energy: -88.129 bonds (distance) P-C4' energy: -86.994 flat angles C4'-P-C4' energy: -95.817 flat angles P-C4'-P energy: -63.099 tors. eta vs tors. theta energy: -128.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1438.684909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.684909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.684909 (E_RNA) where: Base-Base interactions energy: -981.486 where: short stacking energy: -452.561 Base-Backbone interact. energy: -1.779 local terms energy: -455.420170 where: bonds (distance) C4'-P energy: -76.260 bonds (distance) P-C4' energy: -92.553 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: -125.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1306.465423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.465423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.465423 (E_RNA) where: Base-Base interactions energy: -887.377 where: short stacking energy: -377.838 Base-Backbone interact. energy: -1.050 local terms energy: -418.038434 where: bonds (distance) C4'-P energy: -87.342 bonds (distance) P-C4' energy: -86.006 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -95.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1192.651131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.651131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.651131 (E_RNA) where: Base-Base interactions energy: -823.390 where: short stacking energy: -349.921 Base-Backbone interact. energy: -2.620 local terms energy: -366.641757 where: bonds (distance) C4'-P energy: -73.356 bonds (distance) P-C4' energy: -82.066 flat angles C4'-P-C4' energy: -92.234 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -75.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -897.796111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.796111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.796111 (E_RNA) where: Base-Base interactions energy: -568.381 where: short stacking energy: -265.146 Base-Backbone interact. energy: -0.644 local terms energy: -328.770540 where: bonds (distance) C4'-P energy: -74.118 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -87.375 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: -40.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -748.198393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.198393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.198393 (E_RNA) where: Base-Base interactions energy: -458.065 where: short stacking energy: -228.649 Base-Backbone interact. energy: -2.003 local terms energy: -288.129932 where: bonds (distance) C4'-P energy: -85.847 bonds (distance) P-C4' energy: -76.070 flat angles C4'-P-C4' energy: -61.793 flat angles P-C4'-P energy: -38.337 tors. eta vs tors. theta energy: -26.084 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: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -599.329010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.329010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.329010 (E_RNA) where: Base-Base interactions energy: -298.486 where: short stacking energy: -174.419 Base-Backbone interact. energy: -0.005 local terms energy: -300.837483 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -77.106 flat angles C4'-P-C4' energy: -80.936 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -18.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1723.116006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.116006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.116006 (E_RNA) where: Base-Base interactions energy: -1231.989 where: short stacking energy: -490.863 Base-Backbone interact. energy: 1.258 local terms energy: -492.385575 where: bonds (distance) C4'-P energy: -94.068 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -108.707 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -128.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1638.710851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.710851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.710851 (E_RNA) where: Base-Base interactions energy: -1151.982 where: short stacking energy: -465.773 Base-Backbone interact. energy: 0.739 local terms energy: -487.468564 where: bonds (distance) C4'-P energy: -88.797 bonds (distance) P-C4' energy: -86.807 flat angles C4'-P-C4' energy: -103.296 flat angles P-C4'-P energy: -79.011 tors. eta vs tors. theta energy: -129.558 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: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1575.272865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.272865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.272865 (E_RNA) where: Base-Base interactions energy: -1106.820 where: short stacking energy: -430.612 Base-Backbone interact. energy: -0.385 local terms energy: -468.068356 where: bonds (distance) C4'-P energy: -93.610 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -63.442 tors. eta vs tors. theta energy: -119.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1443.504805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.504805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.504805 (E_RNA) where: Base-Base interactions energy: -959.391 where: short stacking energy: -421.920 Base-Backbone interact. energy: -0.577 local terms energy: -483.536823 where: bonds (distance) C4'-P energy: -85.422 bonds (distance) P-C4' energy: -91.696 flat angles C4'-P-C4' energy: -95.727 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -132.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1471.273705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.273705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.273705 (E_RNA) where: Base-Base interactions energy: -1025.705 where: short stacking energy: -458.986 Base-Backbone interact. energy: 1.690 local terms energy: -447.258950 where: bonds (distance) C4'-P energy: -71.974 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -73.883 tors. eta vs tors. theta energy: -119.559 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1301.574482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.574482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.574482 (E_RNA) where: Base-Base interactions energy: -895.042 where: short stacking energy: -374.907 Base-Backbone interact. energy: -1.881 local terms energy: -404.650906 where: bonds (distance) C4'-P energy: -87.503 bonds (distance) P-C4' energy: -84.285 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -53.046 tors. eta vs tors. theta energy: -89.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1159.731358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.731358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.731358 (E_RNA) where: Base-Base interactions energy: -800.699 where: short stacking energy: -330.362 Base-Backbone interact. energy: -2.968 local terms energy: -356.064450 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -77.254 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -65.961 tors. eta vs tors. theta energy: -75.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -866.222405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.222405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.222405 (E_RNA) where: Base-Base interactions energy: -540.838 where: short stacking energy: -251.349 Base-Backbone interact. energy: 0.099 local terms energy: -325.484060 where: bonds (distance) C4'-P energy: -79.749 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -83.444 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -35.206 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: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -752.868907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.868907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.868907 (E_RNA) where: Base-Base interactions energy: -475.028 where: short stacking energy: -205.612 Base-Backbone interact. energy: -0.356 local terms energy: -277.485669 where: bonds (distance) C4'-P energy: -71.675 bonds (distance) P-C4' energy: -87.832 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -38.244 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: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -591.340378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.340378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.340378 (E_RNA) where: Base-Base interactions energy: -335.160 where: short stacking energy: -200.047 Base-Backbone interact. energy: 2.698 local terms energy: -258.877604 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -42.761 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -18.373 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: 1, replica: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1708.059293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.059293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.059293 (E_RNA) where: Base-Base interactions energy: -1228.564 where: short stacking energy: -458.823 Base-Backbone interact. energy: -6.859 local terms energy: -472.635890 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -78.788 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: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1673.268449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.268449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.268449 (E_RNA) where: Base-Base interactions energy: -1168.403 where: short stacking energy: -492.408 Base-Backbone interact. energy: -2.718 local terms energy: -502.147287 where: bonds (distance) C4'-P energy: -91.871 bonds (distance) P-C4' energy: -100.336 flat angles C4'-P-C4' energy: -101.856 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -140.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1593.174090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.174090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.174090 (E_RNA) where: Base-Base interactions energy: -1102.513 where: short stacking energy: -450.224 Base-Backbone interact. energy: -0.414 local terms energy: -490.246966 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -105.932 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -67.709 tors. eta vs tors. theta energy: -122.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1477.163300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.163300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.163300 (E_RNA) where: Base-Base interactions energy: -1019.659 where: short stacking energy: -457.857 Base-Backbone interact. energy: 2.587 local terms energy: -460.091177 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -100.876 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -125.615 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: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1457.391506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.391506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.391506 (E_RNA) where: Base-Base interactions energy: -1018.462 where: short stacking energy: -424.336 Base-Backbone interact. energy: 0.694 local terms energy: -439.623331 where: bonds (distance) C4'-P energy: -84.615 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -91.711 flat angles P-C4'-P energy: -63.783 tors. eta vs tors. theta energy: -118.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1296.406972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.406972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.406972 (E_RNA) where: Base-Base interactions energy: -906.508 where: short stacking energy: -400.885 Base-Backbone interact. energy: -2.688 local terms energy: -387.210900 where: bonds (distance) C4'-P energy: -83.671 bonds (distance) P-C4' energy: -68.931 flat angles C4'-P-C4' energy: -93.409 flat angles P-C4'-P energy: -56.568 tors. eta vs tors. theta energy: -84.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1171.903698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.903698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.903698 (E_RNA) where: Base-Base interactions energy: -779.807 where: short stacking energy: -334.687 Base-Backbone interact. energy: -1.215 local terms energy: -390.881089 where: bonds (distance) C4'-P energy: -84.103 bonds (distance) P-C4' energy: -79.577 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -65.420 tors. eta vs tors. theta energy: -87.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -879.194652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.194652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.194652 (E_RNA) where: Base-Base interactions energy: -521.765 where: short stacking energy: -267.572 Base-Backbone interact. energy: 0.418 local terms energy: -357.847916 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -68.177 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -56.747 tors. eta vs tors. theta energy: -38.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -790.531753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.531753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.531753 (E_RNA) where: Base-Base interactions energy: -493.011 where: short stacking energy: -216.209 Base-Backbone interact. energy: -1.947 local terms energy: -295.574160 where: bonds (distance) C4'-P energy: -80.430 bonds (distance) P-C4' energy: -76.235 flat angles C4'-P-C4' energy: -63.304 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: -35.617 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: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -586.916729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.916729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.916729 (E_RNA) where: Base-Base interactions energy: -302.619 where: short stacking energy: -171.313 Base-Backbone interact. energy: 1.454 local terms energy: -285.751711 where: bonds (distance) C4'-P energy: -79.687 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -41.338 tors. eta vs tors. theta energy: -10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1724.054128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.054128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.054128 (E_RNA) where: Base-Base interactions energy: -1219.037 where: short stacking energy: -477.979 Base-Backbone interact. energy: -3.427 local terms energy: -501.589726 where: bonds (distance) C4'-P energy: -100.626 bonds (distance) P-C4' energy: -96.279 flat angles C4'-P-C4' energy: -112.339 flat angles P-C4'-P energy: -72.587 tors. eta vs tors. theta energy: -119.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1662.166154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.166154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.166154 (E_RNA) where: Base-Base interactions energy: -1169.391 where: short stacking energy: -493.075 Base-Backbone interact. energy: -2.630 local terms energy: -490.144568 where: bonds (distance) C4'-P energy: -88.892 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -100.834 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -138.828 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: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1567.135501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.135501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.135501 (E_RNA) where: Base-Base interactions energy: -1100.162 where: short stacking energy: -440.292 Base-Backbone interact. energy: 0.112 local terms energy: -467.085160 where: bonds (distance) C4'-P energy: -91.789 bonds (distance) P-C4' energy: -86.726 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: -124.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1467.806099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.806099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.806099 (E_RNA) where: Base-Base interactions energy: -990.384 where: short stacking energy: -451.388 Base-Backbone interact. energy: -2.347 local terms energy: -475.075980 where: bonds (distance) C4'-P energy: -97.589 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -99.755 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -126.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1434.732652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.732652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.732652 (E_RNA) where: Base-Base interactions energy: -1025.142 where: short stacking energy: -401.168 Base-Backbone interact. energy: -2.604 local terms energy: -406.986965 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -89.110 flat angles C4'-P-C4' energy: -84.719 flat angles P-C4'-P energy: -70.987 tors. eta vs tors. theta energy: -107.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1273.466338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.466338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.466338 (E_RNA) where: Base-Base interactions energy: -885.926 where: short stacking energy: -386.845 Base-Backbone interact. energy: -1.924 local terms energy: -385.616442 where: bonds (distance) C4'-P energy: -81.627 bonds (distance) P-C4' energy: -74.084 flat angles C4'-P-C4' energy: -96.563 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -83.476 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: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1167.967388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.967388 (E_RNA) where: Base-Base interactions energy: -784.175 where: short stacking energy: -341.769 Base-Backbone interact. energy: 1.005 local terms energy: -384.796987 where: bonds (distance) C4'-P energy: -77.787 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -92.878 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -81.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -889.509908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.509908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.509908 (E_RNA) where: Base-Base interactions energy: -558.824 where: short stacking energy: -266.016 Base-Backbone interact. energy: 5.959 local terms energy: -336.645089 where: bonds (distance) C4'-P energy: -88.469 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -70.294 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -44.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -800.269465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.269465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.269465 (E_RNA) where: Base-Base interactions energy: -508.879 where: short stacking energy: -234.774 Base-Backbone interact. energy: -0.528 local terms energy: -290.862499 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -61.057 flat angles P-C4'-P energy: -37.417 tors. eta vs tors. theta energy: -33.864 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: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -557.266944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.266944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.266944 (E_RNA) where: Base-Base interactions energy: -313.121 where: short stacking energy: -164.510 Base-Backbone interact. energy: 2.550 local terms energy: -246.695582 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -75.755 flat angles C4'-P-C4' energy: -65.193 flat angles P-C4'-P energy: -40.168 tors. eta vs tors. theta energy: 5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1707.865661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.865661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.865661 (E_RNA) where: Base-Base interactions energy: -1221.707 where: short stacking energy: -470.631 Base-Backbone interact. energy: 1.768 local terms energy: -487.926280 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -92.191 flat angles C4'-P-C4' energy: -101.481 flat angles P-C4'-P energy: -71.817 tors. eta vs tors. theta energy: -121.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1686.244697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.244697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.244697 (E_RNA) where: Base-Base interactions energy: -1196.862 where: short stacking energy: -510.917 Base-Backbone interact. energy: -5.416 local terms energy: -483.966609 where: bonds (distance) C4'-P energy: -76.852 bonds (distance) P-C4' energy: -97.278 flat angles C4'-P-C4' energy: -105.179 flat angles P-C4'-P energy: -65.145 tors. eta vs tors. theta energy: -139.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1556.782187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.782187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.782187 (E_RNA) where: Base-Base interactions energy: -1089.362 where: short stacking energy: -439.253 Base-Backbone interact. energy: -1.781 local terms energy: -465.639376 where: bonds (distance) C4'-P energy: -87.750 bonds (distance) P-C4' energy: -84.676 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -65.878 tors. eta vs tors. theta energy: -123.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1476.050597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.050597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.050597 (E_RNA) where: Base-Base interactions energy: -1018.574 where: short stacking energy: -451.667 Base-Backbone interact. energy: -2.509 local terms energy: -454.966807 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -77.795 flat angles C4'-P-C4' energy: -104.665 flat angles P-C4'-P energy: -65.688 tors. eta vs tors. theta energy: -131.294 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: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1472.335345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.335345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.335345 (E_RNA) where: Base-Base interactions energy: -1034.538 where: short stacking energy: -422.590 Base-Backbone interact. energy: -2.574 local terms energy: -435.222572 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -74.949 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -112.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1303.780295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.780295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.780295 (E_RNA) where: Base-Base interactions energy: -899.687 where: short stacking energy: -378.445 Base-Backbone interact. energy: -5.316 local terms energy: -398.777466 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -86.231 flat angles C4'-P-C4' energy: -90.591 flat angles P-C4'-P energy: -39.448 tors. eta vs tors. theta energy: -88.867 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: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1152.390992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.390992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.390992 (E_RNA) where: Base-Base interactions energy: -792.105 where: short stacking energy: -347.632 Base-Backbone interact. energy: -0.461 local terms energy: -359.825195 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -81.103 flat angles C4'-P-C4' energy: -75.862 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -67.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -848.926648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.926648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.926648 (E_RNA) where: Base-Base interactions energy: -553.441 where: short stacking energy: -254.424 Base-Backbone interact. energy: -2.128 local terms energy: -293.358276 where: bonds (distance) C4'-P energy: -69.022 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -36.433 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: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -752.243758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.243758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.243758 (E_RNA) where: Base-Base interactions energy: -456.064 where: short stacking energy: -218.547 Base-Backbone interact. energy: 1.630 local terms energy: -297.809785 where: bonds (distance) C4'-P energy: -68.807 bonds (distance) P-C4' energy: -93.027 flat angles C4'-P-C4' energy: -75.901 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -11.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -589.682143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.682143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.682143 (E_RNA) where: Base-Base interactions energy: -312.178 where: short stacking energy: -175.927 Base-Backbone interact. energy: 2.400 local terms energy: -279.903461 where: bonds (distance) C4'-P energy: -79.614 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1708.849867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.849867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.849867 (E_RNA) where: Base-Base interactions energy: -1238.477 where: short stacking energy: -479.873 Base-Backbone interact. energy: 2.514 local terms energy: -472.886312 where: bonds (distance) C4'-P energy: -89.978 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -102.473 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -119.013 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: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1669.802384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.802384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.802384 (E_RNA) where: Base-Base interactions energy: -1166.721 where: short stacking energy: -496.078 Base-Backbone interact. energy: -3.017 local terms energy: -500.064502 where: bonds (distance) C4'-P energy: -92.722 bonds (distance) P-C4' energy: -92.513 flat angles C4'-P-C4' energy: -103.889 flat angles P-C4'-P energy: -68.933 tors. eta vs tors. theta energy: -142.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1521.302171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.302171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.302171 (E_RNA) where: Base-Base interactions energy: -1060.865 where: short stacking energy: -429.871 Base-Backbone interact. energy: 1.334 local terms energy: -461.770686 where: bonds (distance) C4'-P energy: -96.329 bonds (distance) P-C4' energy: -94.051 flat angles C4'-P-C4' energy: -97.867 flat angles P-C4'-P energy: -57.486 tors. eta vs tors. theta energy: -116.037 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: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1545.908110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.908110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.908110 (E_RNA) where: Base-Base interactions energy: -1078.745 where: short stacking energy: -433.233 Base-Backbone interact. energy: -0.704 local terms energy: -466.459187 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -92.779 flat angles C4'-P-C4' energy: -101.242 flat angles P-C4'-P energy: -70.086 tors. eta vs tors. theta energy: -109.856 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: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1440.235514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.235514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.235514 (E_RNA) where: Base-Base interactions energy: -975.223 where: short stacking energy: -433.969 Base-Backbone interact. energy: -3.280 local terms energy: -461.732433 where: bonds (distance) C4'-P energy: -85.520 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -99.733 flat angles P-C4'-P energy: -68.058 tors. eta vs tors. theta energy: -119.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1325.806228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.806228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.806228 (E_RNA) where: Base-Base interactions energy: -902.375 where: short stacking energy: -383.385 Base-Backbone interact. energy: 1.252 local terms energy: -424.683284 where: bonds (distance) C4'-P energy: -89.890 bonds (distance) P-C4' energy: -92.600 flat angles C4'-P-C4' energy: -92.596 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -102.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1089.204984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.204984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.204984 (E_RNA) where: Base-Base interactions energy: -726.725 where: short stacking energy: -346.803 Base-Backbone interact. energy: -0.398 local terms energy: -362.081973 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -82.005 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -81.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -845.147505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.147505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.147505 (E_RNA) where: Base-Base interactions energy: -532.148 where: short stacking energy: -223.675 Base-Backbone interact. energy: -2.028 local terms energy: -310.970665 where: bonds (distance) C4'-P energy: -82.628 bonds (distance) P-C4' energy: -78.801 flat angles C4'-P-C4' energy: -83.299 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -25.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -747.032528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.032528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.032528 (E_RNA) where: Base-Base interactions energy: -452.511 where: short stacking energy: -223.903 Base-Backbone interact. energy: -0.180 local terms energy: -294.340895 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -82.283 flat angles P-C4'-P energy: -40.834 tors. eta vs tors. theta energy: -20.598 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: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -612.247080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.247080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.247080 (E_RNA) where: Base-Base interactions energy: -337.155 where: short stacking energy: -192.997 Base-Backbone interact. energy: 0.587 local terms energy: -275.679066 where: bonds (distance) C4'-P energy: -84.040 bonds (distance) P-C4' energy: -74.050 flat angles C4'-P-C4' energy: -80.862 flat angles P-C4'-P energy: -14.511 tors. eta vs tors. theta energy: -22.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1685.463602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.463602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.463602 (E_RNA) where: Base-Base interactions energy: -1197.642 where: short stacking energy: -461.603 Base-Backbone interact. energy: -1.725 local terms energy: -486.096622 where: bonds (distance) C4'-P energy: -89.401 bonds (distance) P-C4' energy: -98.691 flat angles C4'-P-C4' energy: -101.852 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -117.635 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: 258 Temperature: 0.950000 Total energy: -1669.533190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.533190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.533190 (E_RNA) where: Base-Base interactions energy: -1154.308 where: short stacking energy: -480.284 Base-Backbone interact. energy: -2.305 local terms energy: -512.920221 where: bonds (distance) C4'-P energy: -91.318 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -105.303 flat angles P-C4'-P energy: -83.493 tors. eta vs tors. theta energy: -136.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1574.868679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.868679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.868679 (E_RNA) where: Base-Base interactions energy: -1110.693 where: short stacking energy: -458.388 Base-Backbone interact. energy: -0.529 local terms energy: -463.646232 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -93.846 flat angles C4'-P-C4' energy: -105.916 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -109.722 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: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1469.919797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.919797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.919797 (E_RNA) where: Base-Base interactions energy: -1023.600 where: short stacking energy: -422.740 Base-Backbone interact. energy: -2.188 local terms energy: -444.132482 where: bonds (distance) C4'-P energy: -93.286 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -96.173 flat angles P-C4'-P energy: -56.178 tors. eta vs tors. theta energy: -116.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1450.142946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.142946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.142946 (E_RNA) where: Base-Base interactions energy: -987.870 where: short stacking energy: -427.906 Base-Backbone interact. energy: -2.610 local terms energy: -459.663061 where: bonds (distance) C4'-P energy: -87.322 bonds (distance) P-C4' energy: -86.410 flat angles C4'-P-C4' energy: -97.690 flat angles P-C4'-P energy: -61.133 tors. eta vs tors. theta energy: -127.108 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: 258 Temperature: 1.150000 Total energy: -1284.096683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.096683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.096683 (E_RNA) where: Base-Base interactions energy: -895.123 where: short stacking energy: -394.974 Base-Backbone interact. energy: -2.475 local terms energy: -386.498779 where: bonds (distance) C4'-P energy: -81.610 bonds (distance) P-C4' energy: -70.887 flat angles C4'-P-C4' energy: -84.818 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -96.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1104.305838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.305838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.305838 (E_RNA) where: Base-Base interactions energy: -720.135 where: short stacking energy: -315.322 Base-Backbone interact. energy: -2.214 local terms energy: -381.957074 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -74.903 flat angles C4'-P-C4' energy: -82.431 flat angles P-C4'-P energy: -60.609 tors. eta vs tors. theta energy: -81.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -880.429114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.429114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.429114 (E_RNA) where: Base-Base interactions energy: -537.591 where: short stacking energy: -264.454 Base-Backbone interact. energy: 2.059 local terms energy: -344.896455 where: bonds (distance) C4'-P energy: -82.147 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -83.717 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -52.364 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: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -675.661457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.661457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.661457 (E_RNA) where: Base-Base interactions energy: -380.477 where: short stacking energy: -198.509 Base-Backbone interact. energy: 1.080 local terms energy: -296.264146 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -82.719 flat angles C4'-P-C4' energy: -72.439 flat angles P-C4'-P energy: -51.256 tors. eta vs tors. theta energy: -14.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -553.569651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.569651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.569651 (E_RNA) where: Base-Base interactions energy: -311.219 where: short stacking energy: -179.997 Base-Backbone interact. energy: 0.452 local terms energy: -242.802338 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -77.931 flat angles C4'-P-C4' energy: -52.628 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1711.544972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.544972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.544972 (E_RNA) where: Base-Base interactions energy: -1219.553 where: short stacking energy: -472.167 Base-Backbone interact. energy: -2.175 local terms energy: -489.816721 where: bonds (distance) C4'-P energy: -89.409 bonds (distance) P-C4' energy: -97.382 flat angles C4'-P-C4' energy: -105.028 flat angles P-C4'-P energy: -69.035 tors. eta vs tors. theta energy: -128.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1637.475798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.475798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.475798 (E_RNA) where: Base-Base interactions energy: -1148.464 where: short stacking energy: -477.515 Base-Backbone interact. energy: -1.585 local terms energy: -487.427350 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -107.590 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: -127.393 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: 259 Temperature: 1.000000 Total energy: -1623.907548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.907548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.907548 (E_RNA) where: Base-Base interactions energy: -1129.011 where: short stacking energy: -476.533 Base-Backbone interact. energy: -2.793 local terms energy: -492.103200 where: bonds (distance) C4'-P energy: -97.229 bonds (distance) P-C4' energy: -96.282 flat angles C4'-P-C4' energy: -94.994 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -130.156 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1534.722824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.722824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.722824 (E_RNA) where: Base-Base interactions energy: -1077.385 where: short stacking energy: -466.097 Base-Backbone interact. energy: -2.621 local terms energy: -454.716869 where: bonds (distance) C4'-P energy: -83.314 bonds (distance) P-C4' energy: -80.652 flat angles C4'-P-C4' energy: -96.918 flat angles P-C4'-P energy: -66.654 tors. eta vs tors. theta energy: -127.179 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: 259 Temperature: 1.100000 Total energy: -1409.229854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.229854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.229854 (E_RNA) where: Base-Base interactions energy: -971.527 where: short stacking energy: -392.237 Base-Backbone interact. energy: -0.914 local terms energy: -436.788399 where: bonds (distance) C4'-P energy: -86.248 bonds (distance) P-C4' energy: -96.951 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -55.067 tors. eta vs tors. theta energy: -105.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1282.857280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.857280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.857280 (E_RNA) where: Base-Base interactions energy: -869.706 where: short stacking energy: -382.236 Base-Backbone interact. energy: -1.151 local terms energy: -412.000454 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -88.229 flat angles C4'-P-C4' energy: -98.777 flat angles P-C4'-P energy: -62.730 tors. eta vs tors. theta energy: -82.629 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: 259 Temperature: 1.200000 Total energy: -1089.276830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.276830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.276830 (E_RNA) where: Base-Base interactions energy: -733.076 where: short stacking energy: -347.406 Base-Backbone interact. energy: -2.662 local terms energy: -353.538551 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -90.883 flat angles C4'-P-C4' energy: -69.037 flat angles P-C4'-P energy: -62.169 tors. eta vs tors. theta energy: -65.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -774.236366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.236366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.236366 (E_RNA) where: Base-Base interactions energy: -469.554 where: short stacking energy: -235.607 Base-Backbone interact. energy: -0.805 local terms energy: -303.877405 where: bonds (distance) C4'-P energy: -69.296 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -61.052 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -40.269 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: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -651.912020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.912020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.912020 (E_RNA) where: Base-Base interactions energy: -357.260 where: short stacking energy: -181.434 Base-Backbone interact. energy: 5.431 local terms energy: -300.083875 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -29.256 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: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -595.055566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.055566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.055566 (E_RNA) where: Base-Base interactions energy: -314.358 where: short stacking energy: -160.016 Base-Backbone interact. energy: 0.700 local terms energy: -281.397223 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -82.981 flat angles C4'-P-C4' energy: -66.742 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -11.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1716.672388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.672388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.672388 (E_RNA) where: Base-Base interactions energy: -1212.610 where: short stacking energy: -479.851 Base-Backbone interact. energy: -2.021 local terms energy: -502.041028 where: bonds (distance) C4'-P energy: -75.375 bonds (distance) P-C4' energy: -108.034 flat angles C4'-P-C4' energy: -115.119 flat angles P-C4'-P energy: -74.069 tors. eta vs tors. theta energy: -129.444 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1623.842406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.842406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.842406 (E_RNA) where: Base-Base interactions energy: -1141.925 where: short stacking energy: -475.541 Base-Backbone interact. energy: -2.154 local terms energy: -479.762708 where: bonds (distance) C4'-P energy: -90.049 bonds (distance) P-C4' energy: -88.703 flat angles C4'-P-C4' energy: -98.986 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: -132.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1619.365793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.365793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.365793 (E_RNA) where: Base-Base interactions energy: -1143.531 where: short stacking energy: -476.809 Base-Backbone interact. energy: -1.579 local terms energy: -474.255270 where: bonds (distance) C4'-P energy: -78.032 bonds (distance) P-C4' energy: -94.441 flat angles C4'-P-C4' energy: -97.460 flat angles P-C4'-P energy: -76.157 tors. eta vs tors. theta energy: -128.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1510.501653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.501653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.501653 (E_RNA) where: Base-Base interactions energy: -1053.472 where: short stacking energy: -462.533 Base-Backbone interact. energy: 5.975 local terms energy: -463.004621 where: bonds (distance) C4'-P energy: -96.408 bonds (distance) P-C4' energy: -80.236 flat angles C4'-P-C4' energy: -97.396 flat angles P-C4'-P energy: -66.649 tors. eta vs tors. theta energy: -122.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1442.166057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.166057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.166057 (E_RNA) where: Base-Base interactions energy: -1009.630 where: short stacking energy: -407.126 Base-Backbone interact. energy: 5.287 local terms energy: -437.822776 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -84.288 flat angles C4'-P-C4' energy: -101.748 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -109.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1293.536212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.536212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.536212 (E_RNA) where: Base-Base interactions energy: -900.296 where: short stacking energy: -380.794 Base-Backbone interact. energy: 0.419 local terms energy: -393.659289 where: bonds (distance) C4'-P energy: -84.427 bonds (distance) P-C4' energy: -64.480 flat angles C4'-P-C4' energy: -92.806 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -90.532 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: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1089.984439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.984439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.984439 (E_RNA) where: Base-Base interactions energy: -721.498 where: short stacking energy: -305.292 Base-Backbone interact. energy: -0.839 local terms energy: -367.647444 where: bonds (distance) C4'-P energy: -79.352 bonds (distance) P-C4' energy: -83.916 flat angles C4'-P-C4' energy: -90.861 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -61.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -971.818300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.818300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.818300 (E_RNA) where: Base-Base interactions energy: -643.161 where: short stacking energy: -281.326 Base-Backbone interact. energy: 6.568 local terms energy: -335.225380 where: bonds (distance) C4'-P energy: -72.087 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -57.412 tors. eta vs tors. theta energy: -51.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -646.551632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.551632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.551632 (E_RNA) where: Base-Base interactions energy: -352.760 where: short stacking energy: -187.265 Base-Backbone interact. energy: 1.561 local terms energy: -295.352095 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -75.146 flat angles C4'-P-C4' energy: -72.357 flat angles P-C4'-P energy: -47.317 tors. eta vs tors. theta energy: -29.374 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: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -624.803538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.803538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.803538 (E_RNA) where: Base-Base interactions energy: -366.454 where: short stacking energy: -204.413 Base-Backbone interact. energy: 2.235 local terms energy: -260.584803 where: bonds (distance) C4'-P energy: -64.041 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -67.534 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -19.830 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: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1724.394381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.394381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.394381 (E_RNA) where: Base-Base interactions energy: -1255.425 where: short stacking energy: -470.485 Base-Backbone interact. energy: -3.533 local terms energy: -465.435678 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -92.146 flat angles C4'-P-C4' energy: -96.985 flat angles P-C4'-P energy: -66.965 tors. eta vs tors. theta energy: -117.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1673.868676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.868676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.868676 (E_RNA) where: Base-Base interactions energy: -1180.700 where: short stacking energy: -510.264 Base-Backbone interact. energy: -3.479 local terms energy: -489.689075 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -95.040 flat angles C4'-P-C4' energy: -108.086 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -130.977 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: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1601.953860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.953860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.953860 (E_RNA) where: Base-Base interactions energy: -1114.256 where: short stacking energy: -463.441 Base-Backbone interact. energy: -2.211 local terms energy: -485.486758 where: bonds (distance) C4'-P energy: -89.203 bonds (distance) P-C4' energy: -103.189 flat angles C4'-P-C4' energy: -100.703 flat angles P-C4'-P energy: -66.638 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: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1478.399132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.399132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.399132 (E_RNA) where: Base-Base interactions energy: -1018.199 where: short stacking energy: -448.408 Base-Backbone interact. energy: 0.434 local terms energy: -460.633885 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -95.268 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -60.128 tors. eta vs tors. theta energy: -122.335 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: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1421.237105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.237105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.237105 (E_RNA) where: Base-Base interactions energy: -996.287 where: short stacking energy: -393.482 Base-Backbone interact. energy: 0.505 local terms energy: -425.455437 where: bonds (distance) C4'-P energy: -83.289 bonds (distance) P-C4' energy: -92.576 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -104.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1264.759696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.759696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.759696 (E_RNA) where: Base-Base interactions energy: -859.638 where: short stacking energy: -372.738 Base-Backbone interact. energy: -3.856 local terms energy: -401.265321 where: bonds (distance) C4'-P energy: -77.555 bonds (distance) P-C4' energy: -94.075 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -83.386 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: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1132.798597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.798597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.798597 (E_RNA) where: Base-Base interactions energy: -751.024 where: short stacking energy: -320.756 Base-Backbone interact. energy: -1.990 local terms energy: -379.784506 where: bonds (distance) C4'-P energy: -84.705 bonds (distance) P-C4' energy: -77.422 flat angles C4'-P-C4' energy: -103.364 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -61.600 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: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -972.180879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.180879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.180879 (E_RNA) where: Base-Base interactions energy: -648.578 where: short stacking energy: -318.598 Base-Backbone interact. energy: -2.301 local terms energy: -321.301526 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -81.603 flat angles C4'-P-C4' energy: -53.141 flat angles P-C4'-P energy: -60.902 tors. eta vs tors. theta energy: -47.919 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: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -751.632397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.632397 (E_RNA) where: Base-Base interactions energy: -433.823 where: short stacking energy: -232.163 Base-Backbone interact. energy: -2.041 local terms energy: -315.768969 where: bonds (distance) C4'-P energy: -72.524 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -82.888 flat angles P-C4'-P energy: -50.963 tors. eta vs tors. theta energy: -34.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -591.576300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.576300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.576300 (E_RNA) where: Base-Base interactions energy: -341.123 where: short stacking energy: -177.682 Base-Backbone interact. energy: -1.555 local terms energy: -248.897936 where: bonds (distance) C4'-P energy: -82.602 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -59.276 flat angles P-C4'-P energy: -37.047 tors. eta vs tors. theta energy: 9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1713.556640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.556640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.556640 (E_RNA) where: Base-Base interactions energy: -1230.575 where: short stacking energy: -484.243 Base-Backbone interact. energy: 3.827 local terms energy: -486.808398 where: bonds (distance) C4'-P energy: -90.128 bonds (distance) P-C4' energy: -93.717 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -69.210 tors. eta vs tors. theta energy: -124.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1683.850613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.850613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.850613 (E_RNA) where: Base-Base interactions energy: -1192.832 where: short stacking energy: -500.626 Base-Backbone interact. energy: -1.460 local terms energy: -489.558836 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -89.494 flat angles C4'-P-C4' energy: -98.665 flat angles P-C4'-P energy: -66.049 tors. eta vs tors. theta energy: -142.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1604.883028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.883028 (E_RNA) where: Base-Base interactions energy: -1112.002 where: short stacking energy: -474.768 Base-Backbone interact. energy: -0.781 local terms energy: -492.100273 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -85.260 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -132.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1481.707236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.707236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.707236 (E_RNA) where: Base-Base interactions energy: -1056.587 where: short stacking energy: -472.925 Base-Backbone interact. energy: -2.111 local terms energy: -423.008798 where: bonds (distance) C4'-P energy: -87.357 bonds (distance) P-C4' energy: -80.481 flat angles C4'-P-C4' energy: -93.871 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -117.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1426.070850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.070850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.070850 (E_RNA) where: Base-Base interactions energy: -1008.224 where: short stacking energy: -427.064 Base-Backbone interact. energy: -2.842 local terms energy: -415.004426 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -73.023 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -71.605 tors. eta vs tors. theta energy: -108.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1282.169570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.169570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.169570 (E_RNA) where: Base-Base interactions energy: -863.104 where: short stacking energy: -380.667 Base-Backbone interact. energy: 0.057 local terms energy: -419.122697 where: bonds (distance) C4'-P energy: -94.116 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -84.832 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -98.764 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: 262 Temperature: 1.200000 Total energy: -1125.207985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.207985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.207985 (E_RNA) where: Base-Base interactions energy: -753.643 where: short stacking energy: -338.710 Base-Backbone interact. energy: 0.797 local terms energy: -372.362530 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -85.694 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -53.858 tors. eta vs tors. theta energy: -76.278 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: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -957.410583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.410583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.410583 (E_RNA) where: Base-Base interactions energy: -608.317 where: short stacking energy: -299.804 Base-Backbone interact. energy: -1.617 local terms energy: -347.475967 where: bonds (distance) C4'-P energy: -68.947 bonds (distance) P-C4' energy: -88.494 flat angles C4'-P-C4' energy: -91.868 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -44.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -700.068058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.068058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.068058 (E_RNA) where: Base-Base interactions energy: -408.691 where: short stacking energy: -215.474 Base-Backbone interact. energy: -1.481 local terms energy: -289.895390 where: bonds (distance) C4'-P energy: -70.772 bonds (distance) P-C4' energy: -97.141 flat angles C4'-P-C4' energy: -76.807 flat angles P-C4'-P energy: -21.707 tors. eta vs tors. theta energy: -23.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -636.745669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.745669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.745669 (E_RNA) where: Base-Base interactions energy: -371.631 where: short stacking energy: -187.592 Base-Backbone interact. energy: 0.494 local terms energy: -265.609406 where: bonds (distance) C4'-P energy: -77.145 bonds (distance) P-C4' energy: -79.773 flat angles C4'-P-C4' energy: -64.764 flat angles P-C4'-P energy: -31.222 tors. eta vs tors. theta energy: -12.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1701.109723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.109723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.109723 (E_RNA) where: Base-Base interactions energy: -1210.833 where: short stacking energy: -473.715 Base-Backbone interact. energy: -4.722 local terms energy: -485.554490 where: bonds (distance) C4'-P energy: -85.170 bonds (distance) P-C4' energy: -94.590 flat angles C4'-P-C4' energy: -113.434 flat angles P-C4'-P energy: -70.971 tors. eta vs tors. theta energy: -121.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1697.312764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.312764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.312764 (E_RNA) where: Base-Base interactions energy: -1187.792 where: short stacking energy: -505.751 Base-Backbone interact. energy: -1.145 local terms energy: -508.376673 where: bonds (distance) C4'-P energy: -88.371 bonds (distance) P-C4' energy: -85.498 flat angles C4'-P-C4' energy: -108.199 flat angles P-C4'-P energy: -82.853 tors. eta vs tors. theta energy: -143.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1637.229860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.229860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.229860 (E_RNA) where: Base-Base interactions energy: -1143.928 where: short stacking energy: -476.016 Base-Backbone interact. energy: -1.276 local terms energy: -492.025292 where: bonds (distance) C4'-P energy: -98.850 bonds (distance) P-C4' energy: -96.477 flat angles C4'-P-C4' energy: -91.210 flat angles P-C4'-P energy: -74.272 tors. eta vs tors. theta energy: -131.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1482.261146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.261146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.261146 (E_RNA) where: Base-Base interactions energy: -1055.571 where: short stacking energy: -437.294 Base-Backbone interact. energy: 2.341 local terms energy: -429.030635 where: bonds (distance) C4'-P energy: -78.247 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -49.751 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1443.406498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.406498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.406498 (E_RNA) where: Base-Base interactions energy: -1000.132 where: short stacking energy: -425.536 Base-Backbone interact. energy: -1.718 local terms energy: -441.556523 where: bonds (distance) C4'-P energy: -74.222 bonds (distance) P-C4' energy: -90.762 flat angles C4'-P-C4' energy: -102.865 flat angles P-C4'-P energy: -60.454 tors. eta vs tors. theta energy: -113.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1291.215474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.215474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.215474 (E_RNA) where: Base-Base interactions energy: -881.617 where: short stacking energy: -349.572 Base-Backbone interact. energy: -0.642 local terms energy: -408.957045 where: bonds (distance) C4'-P energy: -74.575 bonds (distance) P-C4' energy: -97.046 flat angles C4'-P-C4' energy: -108.002 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -79.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1149.369558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.369558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.369558 (E_RNA) where: Base-Base interactions energy: -777.395 where: short stacking energy: -336.788 Base-Backbone interact. energy: 5.278 local terms energy: -377.252891 where: bonds (distance) C4'-P energy: -91.796 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -84.566 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: -62.092 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1064.060043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.060043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.060043 (E_RNA) where: Base-Base interactions energy: -705.318 where: short stacking energy: -321.495 Base-Backbone interact. energy: -1.552 local terms energy: -357.189663 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -87.925 flat angles C4'-P-C4' energy: -79.692 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -69.185 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: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -708.723112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.723112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.723112 (E_RNA) where: Base-Base interactions energy: -392.172 where: short stacking energy: -232.193 Base-Backbone interact. energy: -2.394 local terms energy: -314.157000 where: bonds (distance) C4'-P energy: -81.315 bonds (distance) P-C4' energy: -86.421 flat angles C4'-P-C4' energy: -61.483 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -32.766 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: 263 Temperature: 1.350000 Total energy: -620.289245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.289245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.289245 (E_RNA) where: Base-Base interactions energy: -350.352 where: short stacking energy: -167.766 Base-Backbone interact. energy: 0.934 local terms energy: -270.870751 where: bonds (distance) C4'-P energy: -69.613 bonds (distance) P-C4' energy: -87.611 flat angles C4'-P-C4' energy: -75.603 flat angles P-C4'-P energy: -30.493 tors. eta vs tors. theta energy: -7.552 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: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1733.683115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.683115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.683115 (E_RNA) where: Base-Base interactions energy: -1226.207 where: short stacking energy: -518.434 Base-Backbone interact. energy: -0.216 local terms energy: -507.259383 where: bonds (distance) C4'-P energy: -96.702 bonds (distance) P-C4' energy: -90.039 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -63.786 tors. eta vs tors. theta energy: -144.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1659.385403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.385403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.385403 (E_RNA) where: Base-Base interactions energy: -1185.785 where: short stacking energy: -457.177 Base-Backbone interact. energy: -4.273 local terms energy: -469.326815 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -101.170 flat angles C4'-P-C4' energy: -101.295 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -114.645 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1587.945608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.945608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.945608 (E_RNA) where: Base-Base interactions energy: -1132.726 where: short stacking energy: -461.954 Base-Backbone interact. energy: 0.087 local terms energy: -455.305732 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -99.067 flat angles C4'-P-C4' energy: -90.729 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: -121.068 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: 264 Temperature: 1.050000 Total energy: -1444.724258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.724258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.724258 (E_RNA) where: Base-Base interactions energy: -993.172 where: short stacking energy: -402.354 Base-Backbone interact. energy: -2.421 local terms energy: -449.131090 where: bonds (distance) C4'-P energy: -88.207 bonds (distance) P-C4' energy: -90.648 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -68.090 tors. eta vs tors. theta energy: -101.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1429.858125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.858125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.858125 (E_RNA) where: Base-Base interactions energy: -991.663 where: short stacking energy: -413.495 Base-Backbone interact. energy: -1.606 local terms energy: -436.588923 where: bonds (distance) C4'-P energy: -88.081 bonds (distance) P-C4' energy: -69.104 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -115.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1290.996528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.996528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.996528 (E_RNA) where: Base-Base interactions energy: -888.817 where: short stacking energy: -379.730 Base-Backbone interact. energy: -0.081 local terms energy: -402.098596 where: bonds (distance) C4'-P energy: -87.673 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -77.283 flat angles P-C4'-P energy: -64.099 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: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1134.821499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.821499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.821499 (E_RNA) where: Base-Base interactions energy: -762.836 where: short stacking energy: -319.593 Base-Backbone interact. energy: 8.053 local terms energy: -380.038896 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -93.333 flat angles C4'-P-C4' energy: -88.486 flat angles P-C4'-P energy: -46.133 tors. eta vs tors. theta energy: -83.265 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: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1016.677054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.677054 (E_RNA) where: Base-Base interactions energy: -700.772 where: short stacking energy: -312.254 Base-Backbone interact. energy: -4.518 local terms energy: -311.386414 where: bonds (distance) C4'-P energy: -68.135 bonds (distance) P-C4' energy: -61.335 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -52.382 tors. eta vs tors. theta energy: -65.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -645.320111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.320111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.320111 (E_RNA) where: Base-Base interactions energy: -368.131 where: short stacking energy: -208.796 Base-Backbone interact. energy: -2.187 local terms energy: -275.002587 where: bonds (distance) C4'-P energy: -80.513 bonds (distance) P-C4' energy: -71.996 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -33.629 tors. eta vs tors. theta energy: -19.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -700.399822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.399822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.399822 (E_RNA) where: Base-Base interactions energy: -419.254 where: short stacking energy: -215.121 Base-Backbone interact. energy: -0.235 local terms energy: -280.910108 where: bonds (distance) C4'-P energy: -81.694 bonds (distance) P-C4' energy: -79.079 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -26.865 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: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1722.465288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.465288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.465288 (E_RNA) where: Base-Base interactions energy: -1203.046 where: short stacking energy: -514.298 Base-Backbone interact. energy: -3.309 local terms energy: -516.110405 where: bonds (distance) C4'-P energy: -103.094 bonds (distance) P-C4' energy: -98.450 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -143.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1651.896285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.896285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.896285 (E_RNA) where: Base-Base interactions energy: -1178.525 where: short stacking energy: -468.013 Base-Backbone interact. energy: -2.021 local terms energy: -471.349464 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -94.098 flat angles C4'-P-C4' energy: -103.846 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -116.770 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1632.063035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.063035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.063035 (E_RNA) where: Base-Base interactions energy: -1162.910 where: short stacking energy: -473.455 Base-Backbone interact. energy: -1.082 local terms energy: -468.070293 where: bonds (distance) C4'-P energy: -88.936 bonds (distance) P-C4' energy: -90.786 flat angles C4'-P-C4' energy: -98.338 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -122.664 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1397.933559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.933559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.933559 (E_RNA) where: Base-Base interactions energy: -961.768 where: short stacking energy: -415.102 Base-Backbone interact. energy: -3.866 local terms energy: -432.299474 where: bonds (distance) C4'-P energy: -94.198 bonds (distance) P-C4' energy: -90.045 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -52.471 tors. eta vs tors. theta energy: -110.133 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: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1441.313003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.313003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.313003 (E_RNA) where: Base-Base interactions energy: -995.516 where: short stacking energy: -436.121 Base-Backbone interact. energy: -0.902 local terms energy: -444.894866 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -101.046 flat angles P-C4'-P energy: -69.485 tors. eta vs tors. theta energy: -123.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1294.342205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.342205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.342205 (E_RNA) where: Base-Base interactions energy: -878.820 where: short stacking energy: -384.472 Base-Backbone interact. energy: 5.567 local terms energy: -421.090087 where: bonds (distance) C4'-P energy: -85.034 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -87.063 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -96.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1131.278979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.278979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.278979 (E_RNA) where: Base-Base interactions energy: -754.105 where: short stacking energy: -331.575 Base-Backbone interact. energy: 2.619 local terms energy: -379.792473 where: bonds (distance) C4'-P energy: -89.087 bonds (distance) P-C4' energy: -88.513 flat angles C4'-P-C4' energy: -87.194 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -61.963 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: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1046.071038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.071038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.071038 (E_RNA) where: Base-Base interactions energy: -668.509 where: short stacking energy: -299.980 Base-Backbone interact. energy: -2.546 local terms energy: -375.015509 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -95.722 flat angles C4'-P-C4' energy: -97.141 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -51.579 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: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -709.458813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.458813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.458813 (E_RNA) where: Base-Base interactions energy: -384.128 where: short stacking energy: -212.741 Base-Backbone interact. energy: -0.490 local terms energy: -324.840863 where: bonds (distance) C4'-P energy: -79.928 bonds (distance) P-C4' energy: -90.023 flat angles C4'-P-C4' energy: -74.611 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -30.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -655.350460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.350460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.350460 (E_RNA) where: Base-Base interactions energy: -366.120 where: short stacking energy: -182.587 Base-Backbone interact. energy: -1.650 local terms energy: -287.580874 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -7.386 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: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1720.539836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.539836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.539836 (E_RNA) where: Base-Base interactions energy: -1195.204 where: short stacking energy: -506.265 Base-Backbone interact. energy: -6.544 local terms energy: -518.792407 where: bonds (distance) C4'-P energy: -106.652 bonds (distance) P-C4' energy: -91.541 flat angles C4'-P-C4' energy: -101.552 flat angles P-C4'-P energy: -73.807 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: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1662.610576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.610576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.610576 (E_RNA) where: Base-Base interactions energy: -1190.233 where: short stacking energy: -470.262 Base-Backbone interact. energy: -3.104 local terms energy: -469.272657 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -80.765 flat angles C4'-P-C4' energy: -104.062 flat angles P-C4'-P energy: -71.602 tors. eta vs tors. theta energy: -120.333 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: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1620.988103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.988103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.988103 (E_RNA) where: Base-Base interactions energy: -1145.663 where: short stacking energy: -458.875 Base-Backbone interact. energy: -2.270 local terms energy: -473.054869 where: bonds (distance) C4'-P energy: -85.916 bonds (distance) P-C4' energy: -93.945 flat angles C4'-P-C4' energy: -99.145 flat angles P-C4'-P energy: -64.249 tors. eta vs tors. theta energy: -129.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1397.276521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.276521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.276521 (E_RNA) where: Base-Base interactions energy: -1000.108 where: short stacking energy: -406.044 Base-Backbone interact. energy: 3.869 local terms energy: -401.037157 where: bonds (distance) C4'-P energy: -67.936 bonds (distance) P-C4' energy: -78.174 flat angles C4'-P-C4' energy: -90.953 flat angles P-C4'-P energy: -55.076 tors. eta vs tors. theta energy: -108.899 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: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1404.441409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.441409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.441409 (E_RNA) where: Base-Base interactions energy: -980.806 where: short stacking energy: -439.627 Base-Backbone interact. energy: 1.455 local terms energy: -425.090353 where: bonds (distance) C4'-P energy: -73.192 bonds (distance) P-C4' energy: -80.912 flat angles C4'-P-C4' energy: -86.043 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -126.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1278.202794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.202794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.202794 (E_RNA) where: Base-Base interactions energy: -847.063 where: short stacking energy: -383.305 Base-Backbone interact. energy: -1.424 local terms energy: -429.716181 where: bonds (distance) C4'-P energy: -79.009 bonds (distance) P-C4' energy: -85.777 flat angles C4'-P-C4' energy: -102.519 flat angles P-C4'-P energy: -68.477 tors. eta vs tors. theta energy: -93.934 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: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1110.232484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.232484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.232484 (E_RNA) where: Base-Base interactions energy: -736.739 where: short stacking energy: -304.909 Base-Backbone interact. energy: -0.569 local terms energy: -372.924659 where: bonds (distance) C4'-P energy: -83.568 bonds (distance) P-C4' energy: -86.722 flat angles C4'-P-C4' energy: -75.481 flat angles P-C4'-P energy: -58.713 tors. eta vs tors. theta energy: -68.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1095.586946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.586946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.586946 (E_RNA) where: Base-Base interactions energy: -743.217 where: short stacking energy: -330.653 Base-Backbone interact. energy: -0.434 local terms energy: -351.935447 where: bonds (distance) C4'-P energy: -79.471 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -85.836 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -59.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -697.105217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.105217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.105217 (E_RNA) where: Base-Base interactions energy: -401.455 where: short stacking energy: -193.807 Base-Backbone interact. energy: -3.921 local terms energy: -291.728922 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -85.184 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -736.569063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.569063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.569063 (E_RNA) where: Base-Base interactions energy: -445.549 where: short stacking energy: -217.493 Base-Backbone interact. energy: -2.067 local terms energy: -288.953288 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -81.928 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -33.719 tors. eta vs tors. theta energy: -24.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1699.764044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.764044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.764044 (E_RNA) where: Base-Base interactions energy: -1198.971 where: short stacking energy: -488.711 Base-Backbone interact. energy: -2.873 local terms energy: -497.919845 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -100.960 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: -141.061 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: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1661.595496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.595496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.595496 (E_RNA) where: Base-Base interactions energy: -1195.901 where: short stacking energy: -470.091 Base-Backbone interact. energy: -2.344 local terms energy: -463.351303 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -92.461 flat angles C4'-P-C4' energy: -101.654 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -122.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1613.303900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.303900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.303900 (E_RNA) where: Base-Base interactions energy: -1127.143 where: short stacking energy: -474.533 Base-Backbone interact. energy: -2.422 local terms energy: -483.739078 where: bonds (distance) C4'-P energy: -91.818 bonds (distance) P-C4' energy: -93.027 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -125.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1458.884531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.884531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.884531 (E_RNA) where: Base-Base interactions energy: -1000.616 where: short stacking energy: -425.618 Base-Backbone interact. energy: 3.466 local terms energy: -461.734349 where: bonds (distance) C4'-P energy: -78.159 bonds (distance) P-C4' energy: -100.460 flat angles C4'-P-C4' energy: -94.838 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -121.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1360.344459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.344459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.344459 (E_RNA) where: Base-Base interactions energy: -930.695 where: short stacking energy: -398.996 Base-Backbone interact. energy: 6.277 local terms energy: -435.926341 where: bonds (distance) C4'-P energy: -83.748 bonds (distance) P-C4' energy: -79.481 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -111.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1269.411974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.411974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.411974 (E_RNA) where: Base-Base interactions energy: -878.341 where: short stacking energy: -360.305 Base-Backbone interact. energy: 2.238 local terms energy: -393.309172 where: bonds (distance) C4'-P energy: -63.324 bonds (distance) P-C4' energy: -85.495 flat angles C4'-P-C4' energy: -92.137 flat angles P-C4'-P energy: -64.944 tors. eta vs tors. theta energy: -87.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1145.760395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.760395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.760395 (E_RNA) where: Base-Base interactions energy: -790.053 where: short stacking energy: -337.807 Base-Backbone interact. energy: -0.449 local terms energy: -355.258179 where: bonds (distance) C4'-P energy: -79.147 bonds (distance) P-C4' energy: -81.231 flat angles C4'-P-C4' energy: -88.765 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -61.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1047.632536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.632536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.632536 (E_RNA) where: Base-Base interactions energy: -694.761 where: short stacking energy: -320.852 Base-Backbone interact. energy: -3.338 local terms energy: -349.533660 where: bonds (distance) C4'-P energy: -92.032 bonds (distance) P-C4' energy: -86.894 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -48.793 tors. eta vs tors. theta energy: -55.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -668.437335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.437335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.437335 (E_RNA) where: Base-Base interactions energy: -362.870 where: short stacking energy: -193.402 Base-Backbone interact. energy: -2.255 local terms energy: -303.311951 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -64.287 flat angles C4'-P-C4' energy: -76.743 flat angles P-C4'-P energy: -53.976 tors. eta vs tors. theta energy: -29.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -706.914147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.914147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.914147 (E_RNA) where: Base-Base interactions energy: -426.758 where: short stacking energy: -202.632 Base-Backbone interact. energy: -1.682 local terms energy: -278.474154 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -79.967 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -28.480 tors. eta vs tors. theta energy: -13.340 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: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1693.187879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.187879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.187879 (E_RNA) where: Base-Base interactions energy: -1184.175 where: short stacking energy: -483.139 Base-Backbone interact. energy: -1.215 local terms energy: -507.798373 where: bonds (distance) C4'-P energy: -102.061 bonds (distance) P-C4' energy: -96.547 flat angles C4'-P-C4' energy: -109.447 flat angles P-C4'-P energy: -61.961 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: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1652.440373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.440373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.440373 (E_RNA) where: Base-Base interactions energy: -1192.652 where: short stacking energy: -479.970 Base-Backbone interact. energy: -5.437 local terms energy: -454.351340 where: bonds (distance) C4'-P energy: -80.700 bonds (distance) P-C4' energy: -101.465 flat angles C4'-P-C4' energy: -94.217 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -121.828 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: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1630.601733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.601733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.601733 (E_RNA) where: Base-Base interactions energy: -1171.483 where: short stacking energy: -473.881 Base-Backbone interact. energy: -2.350 local terms energy: -456.768548 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -103.512 flat angles P-C4'-P energy: -62.016 tors. eta vs tors. theta energy: -119.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1510.307757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.307757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.307757 (E_RNA) where: Base-Base interactions energy: -1061.471 where: short stacking energy: -495.891 Base-Backbone interact. energy: -1.718 local terms energy: -447.118718 where: bonds (distance) C4'-P energy: -73.781 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -99.206 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -140.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1413.933993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.933993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.933993 (E_RNA) where: Base-Base interactions energy: -958.058 where: short stacking energy: -403.170 Base-Backbone interact. energy: 0.749 local terms energy: -456.625216 where: bonds (distance) C4'-P energy: -83.686 bonds (distance) P-C4' energy: -95.929 flat angles C4'-P-C4' energy: -100.111 flat angles P-C4'-P energy: -69.915 tors. eta vs tors. theta energy: -106.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1242.579308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.579308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.579308 (E_RNA) where: Base-Base interactions energy: -833.781 where: short stacking energy: -383.734 Base-Backbone interact. energy: -0.890 local terms energy: -407.908113 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -83.161 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -52.421 tors. eta vs tors. theta energy: -86.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1155.207076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.207076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.207076 (E_RNA) where: Base-Base interactions energy: -785.202 where: short stacking energy: -333.972 Base-Backbone interact. energy: 0.035 local terms energy: -370.039217 where: bonds (distance) C4'-P energy: -81.829 bonds (distance) P-C4' energy: -78.303 flat angles C4'-P-C4' energy: -74.733 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -71.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1028.581360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.581360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.581360 (E_RNA) where: Base-Base interactions energy: -686.684 where: short stacking energy: -293.904 Base-Backbone interact. energy: -2.033 local terms energy: -339.864712 where: bonds (distance) C4'-P energy: -66.984 bonds (distance) P-C4' energy: -62.531 flat angles C4'-P-C4' energy: -94.016 flat angles P-C4'-P energy: -57.687 tors. eta vs tors. theta energy: -58.648 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: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -662.351433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.351433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.351433 (E_RNA) where: Base-Base interactions energy: -404.245 where: short stacking energy: -173.552 Base-Backbone interact. energy: 3.048 local terms energy: -261.153750 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -79.836 flat angles C4'-P-C4' energy: -62.349 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -8.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -617.713907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.713907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.713907 (E_RNA) where: Base-Base interactions energy: -375.189 where: short stacking energy: -165.927 Base-Backbone interact. energy: -0.982 local terms energy: -241.543416 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -45.148 tors. eta vs tors. theta energy: 3.230 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: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1698.881537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.881537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.881537 (E_RNA) where: Base-Base interactions energy: -1204.414 where: short stacking energy: -487.111 Base-Backbone interact. energy: 3.582 local terms energy: -498.049624 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -91.582 flat angles C4'-P-C4' energy: -107.134 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -138.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1684.483706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.483706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.483706 (E_RNA) where: Base-Base interactions energy: -1195.052 where: short stacking energy: -472.500 Base-Backbone interact. energy: -5.100 local terms energy: -484.331160 where: bonds (distance) C4'-P energy: -88.300 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -109.373 flat angles P-C4'-P energy: -70.429 tors. eta vs tors. theta energy: -124.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1615.753250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.753250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.753250 (E_RNA) where: Base-Base interactions energy: -1166.809 where: short stacking energy: -445.044 Base-Backbone interact. energy: -3.659 local terms energy: -445.285037 where: bonds (distance) C4'-P energy: -91.664 bonds (distance) P-C4' energy: -85.989 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -55.683 tors. eta vs tors. theta energy: -119.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1547.147553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.147553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.147553 (E_RNA) where: Base-Base interactions energy: -1058.361 where: short stacking energy: -489.312 Base-Backbone interact. energy: 1.028 local terms energy: -489.813961 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -83.833 flat angles C4'-P-C4' energy: -111.401 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -142.497 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: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1406.260098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.260098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.260098 (E_RNA) where: Base-Base interactions energy: -974.496 where: short stacking energy: -397.063 Base-Backbone interact. energy: -3.178 local terms energy: -428.585718 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -106.607 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -101.605 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: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1228.882374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.882374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.882374 (E_RNA) where: Base-Base interactions energy: -820.255 where: short stacking energy: -363.545 Base-Backbone interact. energy: -1.705 local terms energy: -406.922200 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -81.700 flat angles C4'-P-C4' energy: -92.723 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -87.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1147.144417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.144417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.144417 (E_RNA) where: Base-Base interactions energy: -763.722 where: short stacking energy: -331.171 Base-Backbone interact. energy: -1.464 local terms energy: -381.958984 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -78.895 flat angles C4'-P-C4' energy: -85.998 flat angles P-C4'-P energy: -62.912 tors. eta vs tors. theta energy: -64.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1054.904754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.904754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.904754 (E_RNA) where: Base-Base interactions energy: -674.099 where: short stacking energy: -299.720 Base-Backbone interact. energy: 1.481 local terms energy: -382.286717 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -79.539 flat angles C4'-P-C4' energy: -78.514 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -75.553 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: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -721.209366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.209366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.209366 (E_RNA) where: Base-Base interactions energy: -421.882 where: short stacking energy: -208.378 Base-Backbone interact. energy: 1.105 local terms energy: -300.432241 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -87.231 flat angles C4'-P-C4' energy: -78.537 flat angles P-C4'-P energy: -35.403 tors. eta vs tors. theta energy: -31.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -580.361990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.361990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.361990 (E_RNA) where: Base-Base interactions energy: -319.952 where: short stacking energy: -154.521 Base-Backbone interact. energy: 1.268 local terms energy: -261.678431 where: bonds (distance) C4'-P energy: -79.425 bonds (distance) P-C4' energy: -83.547 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -42.361 tors. eta vs tors. theta energy: 13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1707.708470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.708470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.708470 (E_RNA) where: Base-Base interactions energy: -1214.080 where: short stacking energy: -476.910 Base-Backbone interact. energy: -2.239 local terms energy: -491.389662 where: bonds (distance) C4'-P energy: -90.444 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -123.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1687.525307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.525307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.525307 (E_RNA) where: Base-Base interactions energy: -1192.527 where: short stacking energy: -489.095 Base-Backbone interact. energy: -2.210 local terms energy: -492.787994 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -95.771 flat angles C4'-P-C4' energy: -101.686 flat angles P-C4'-P energy: -68.445 tors. eta vs tors. theta energy: -133.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1614.683714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.683714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.683714 (E_RNA) where: Base-Base interactions energy: -1142.671 where: short stacking energy: -452.479 Base-Backbone interact. energy: 0.552 local terms energy: -472.563926 where: bonds (distance) C4'-P energy: -90.561 bonds (distance) P-C4' energy: -88.180 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -72.675 tors. eta vs tors. theta energy: -121.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1510.560255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.560255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.560255 (E_RNA) where: Base-Base interactions energy: -1034.019 where: short stacking energy: -462.817 Base-Backbone interact. energy: -2.072 local terms energy: -474.469219 where: bonds (distance) C4'-P energy: -89.268 bonds (distance) P-C4' energy: -86.767 flat angles C4'-P-C4' energy: -106.647 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -121.051 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: 270 Temperature: 1.100000 Total energy: -1389.113720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.113720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.113720 (E_RNA) where: Base-Base interactions energy: -958.616 where: short stacking energy: -401.734 Base-Backbone interact. energy: -1.071 local terms energy: -429.427538 where: bonds (distance) C4'-P energy: -75.619 bonds (distance) P-C4' energy: -84.637 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -111.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1240.413818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.413818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.413818 (E_RNA) where: Base-Base interactions energy: -828.765 where: short stacking energy: -351.894 Base-Backbone interact. energy: 2.349 local terms energy: -413.997839 where: bonds (distance) C4'-P energy: -88.982 bonds (distance) P-C4' energy: -84.185 flat angles C4'-P-C4' energy: -99.976 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -83.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1099.392703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.392703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.392703 (E_RNA) where: Base-Base interactions energy: -746.774 where: short stacking energy: -327.142 Base-Backbone interact. energy: -1.266 local terms energy: -351.352640 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -83.660 flat angles C4'-P-C4' energy: -82.801 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: -63.393 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: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1115.330747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.330747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.330747 (E_RNA) where: Base-Base interactions energy: -774.727 where: short stacking energy: -331.983 Base-Backbone interact. energy: -1.671 local terms energy: -338.932611 where: bonds (distance) C4'-P energy: -71.440 bonds (distance) P-C4' energy: -60.234 flat angles C4'-P-C4' energy: -86.519 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -75.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -713.775330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.775330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.775330 (E_RNA) where: Base-Base interactions energy: -410.421 where: short stacking energy: -213.671 Base-Backbone interact. energy: -5.326 local terms energy: -298.027922 where: bonds (distance) C4'-P energy: -74.149 bonds (distance) P-C4' energy: -86.567 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: -16.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -574.147817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.147817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.147817 (E_RNA) where: Base-Base interactions energy: -313.170 where: short stacking energy: -180.849 Base-Backbone interact. energy: -0.427 local terms energy: -260.550592 where: bonds (distance) C4'-P energy: -67.127 bonds (distance) P-C4' energy: -85.242 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -40.326 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1702.157676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.157676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.157676 (E_RNA) where: Base-Base interactions energy: -1191.522 where: short stacking energy: -496.240 Base-Backbone interact. energy: -3.374 local terms energy: -507.261253 where: bonds (distance) C4'-P energy: -87.265 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -128.750 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: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1640.522412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.522412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.522412 (E_RNA) where: Base-Base interactions energy: -1184.958 where: short stacking energy: -468.000 Base-Backbone interact. energy: 0.070 local terms energy: -455.634074 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -67.112 tors. eta vs tors. theta energy: -117.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1641.899317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.899317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.899317 (E_RNA) where: Base-Base interactions energy: -1157.338 where: short stacking energy: -486.729 Base-Backbone interact. energy: -1.294 local terms energy: -483.266781 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -110.121 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: -131.772 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: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1525.448540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.448540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.448540 (E_RNA) where: Base-Base interactions energy: -1054.046 where: short stacking energy: -481.249 Base-Backbone interact. energy: 0.355 local terms energy: -471.758360 where: bonds (distance) C4'-P energy: -82.481 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -135.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1390.105921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.105921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.105921 (E_RNA) where: Base-Base interactions energy: -967.112 where: short stacking energy: -412.787 Base-Backbone interact. energy: 5.454 local terms energy: -428.448230 where: bonds (distance) C4'-P energy: -99.104 bonds (distance) P-C4' energy: -72.088 flat angles C4'-P-C4' energy: -104.323 flat angles P-C4'-P energy: -52.014 tors. eta vs tors. theta energy: -100.919 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: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1209.249904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.249904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.249904 (E_RNA) where: Base-Base interactions energy: -803.764 where: short stacking energy: -351.905 Base-Backbone interact. energy: -1.760 local terms energy: -403.726390 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -93.864 flat angles C4'-P-C4' energy: -80.672 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: -89.467 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1124.329174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.329174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.329174 (E_RNA) where: Base-Base interactions energy: -746.703 where: short stacking energy: -319.636 Base-Backbone interact. energy: -2.369 local terms energy: -375.257546 where: bonds (distance) C4'-P energy: -86.047 bonds (distance) P-C4' energy: -97.327 flat angles C4'-P-C4' energy: -86.428 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -59.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1082.218049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.218049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.218049 (E_RNA) where: Base-Base interactions energy: -746.290 where: short stacking energy: -314.641 Base-Backbone interact. energy: 0.561 local terms energy: -336.489447 where: bonds (distance) C4'-P energy: -69.925 bonds (distance) P-C4' energy: -79.258 flat angles C4'-P-C4' energy: -84.184 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -60.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -664.725052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.725052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.725052 (E_RNA) where: Base-Base interactions energy: -357.440 where: short stacking energy: -171.544 Base-Backbone interact. energy: -2.122 local terms energy: -305.162679 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -51.342 tors. eta vs tors. theta energy: -21.487 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: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -570.541517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.541517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.541517 (E_RNA) where: Base-Base interactions energy: -310.313 where: short stacking energy: -161.204 Base-Backbone interact. energy: 0.239 local terms energy: -260.468214 where: bonds (distance) C4'-P energy: -70.060 bonds (distance) P-C4' energy: -84.840 flat angles C4'-P-C4' energy: -77.519 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: 7.558 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: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1670.057905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.057905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.057905 (E_RNA) where: Base-Base interactions energy: -1166.767 where: short stacking energy: -488.771 Base-Backbone interact. energy: -5.184 local terms energy: -498.106535 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -128.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1647.792449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.792449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.792449 (E_RNA) where: Base-Base interactions energy: -1198.576 where: short stacking energy: -451.834 Base-Backbone interact. energy: -0.786 local terms energy: -448.430167 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -93.060 flat angles C4'-P-C4' energy: -94.466 flat angles P-C4'-P energy: -64.687 tors. eta vs tors. theta energy: -111.690 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: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1663.888822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.888822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.888822 (E_RNA) where: Base-Base interactions energy: -1167.397 where: short stacking energy: -475.002 Base-Backbone interact. energy: -2.900 local terms energy: -493.592029 where: bonds (distance) C4'-P energy: -86.335 bonds (distance) P-C4' energy: -97.195 flat angles C4'-P-C4' energy: -102.622 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -135.724 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: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1475.511350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.511350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.511350 (E_RNA) where: Base-Base interactions energy: -1041.775 where: short stacking energy: -456.713 Base-Backbone interact. energy: -0.264 local terms energy: -433.472000 where: bonds (distance) C4'-P energy: -89.628 bonds (distance) P-C4' energy: -75.962 flat angles C4'-P-C4' energy: -91.589 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -124.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1365.197736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.197736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.197736 (E_RNA) where: Base-Base interactions energy: -938.701 where: short stacking energy: -388.597 Base-Backbone interact. energy: -1.157 local terms energy: -425.339315 where: bonds (distance) C4'-P energy: -88.620 bonds (distance) P-C4' energy: -90.149 flat angles C4'-P-C4' energy: -86.301 flat angles P-C4'-P energy: -58.243 tors. eta vs tors. theta energy: -102.027 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: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1224.987215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.987215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.987215 (E_RNA) where: Base-Base interactions energy: -814.269 where: short stacking energy: -376.967 Base-Backbone interact. energy: 3.288 local terms energy: -414.005806 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -88.576 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: -89.217 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: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1129.493737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.493737 (E_RNA) where: Base-Base interactions energy: -766.714 where: short stacking energy: -320.442 Base-Backbone interact. energy: 1.306 local terms energy: -364.085623 where: bonds (distance) C4'-P energy: -87.719 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -70.680 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -59.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1070.029144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.029144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.029144 (E_RNA) where: Base-Base interactions energy: -720.582 where: short stacking energy: -312.233 Base-Backbone interact. energy: 0.985 local terms energy: -350.432065 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -75.115 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -63.068 tors. eta vs tors. theta energy: -50.430 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: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -672.353787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.353787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.353787 (E_RNA) where: Base-Base interactions energy: -387.124 where: short stacking energy: -185.170 Base-Backbone interact. energy: -1.150 local terms energy: -284.080226 where: bonds (distance) C4'-P energy: -78.438 bonds (distance) P-C4' energy: -59.691 flat angles C4'-P-C4' energy: -73.505 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: -27.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -525.435557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.435557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.435557 (E_RNA) where: Base-Base interactions energy: -285.640 where: short stacking energy: -149.781 Base-Backbone interact. energy: 1.622 local terms energy: -241.418454 where: bonds (distance) C4'-P energy: -59.273 bonds (distance) P-C4' energy: -78.106 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -32.886 tors. eta vs tors. theta energy: 1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1713.361326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.361326 (E_RNA) where: Base-Base interactions energy: -1205.349 where: short stacking energy: -509.817 Base-Backbone interact. energy: -3.642 local terms energy: -504.370933 where: bonds (distance) C4'-P energy: -97.611 bonds (distance) P-C4' energy: -95.357 flat angles C4'-P-C4' energy: -101.460 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -138.003 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: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1663.937388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.937388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.937388 (E_RNA) where: Base-Base interactions energy: -1211.608 where: short stacking energy: -483.901 Base-Backbone interact. energy: -3.070 local terms energy: -449.259086 where: bonds (distance) C4'-P energy: -86.822 bonds (distance) P-C4' energy: -88.037 flat angles C4'-P-C4' energy: -89.482 flat angles P-C4'-P energy: -74.190 tors. eta vs tors. theta energy: -110.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1620.054562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.054562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.054562 (E_RNA) where: Base-Base interactions energy: -1132.499 where: short stacking energy: -477.722 Base-Backbone interact. energy: -0.648 local terms energy: -486.907920 where: bonds (distance) C4'-P energy: -92.766 bonds (distance) P-C4' energy: -94.255 flat angles C4'-P-C4' energy: -99.269 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: -130.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1483.171873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.171873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.171873 (E_RNA) where: Base-Base interactions energy: -1017.428 where: short stacking energy: -434.373 Base-Backbone interact. energy: -4.322 local terms energy: -461.421734 where: bonds (distance) C4'-P energy: -93.369 bonds (distance) P-C4' energy: -80.225 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -130.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1359.193561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.193561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.193561 (E_RNA) where: Base-Base interactions energy: -926.194 where: short stacking energy: -405.259 Base-Backbone interact. energy: 9.828 local terms energy: -442.828238 where: bonds (distance) C4'-P energy: -75.673 bonds (distance) P-C4' energy: -92.148 flat angles C4'-P-C4' energy: -99.711 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -108.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1254.654445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.654445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.654445 (E_RNA) where: Base-Base interactions energy: -829.246 where: short stacking energy: -371.281 Base-Backbone interact. energy: -1.056 local terms energy: -424.352148 where: bonds (distance) C4'-P energy: -95.684 bonds (distance) P-C4' energy: -85.558 flat angles C4'-P-C4' energy: -88.427 flat angles P-C4'-P energy: -61.810 tors. eta vs tors. theta energy: -92.872 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: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1149.918389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.918389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.918389 (E_RNA) where: Base-Base interactions energy: -757.963 where: short stacking energy: -343.734 Base-Backbone interact. energy: 0.091 local terms energy: -392.045995 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -71.752 flat angles C4'-P-C4' energy: -92.537 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -84.927 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: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1026.763111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.763111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.763111 (E_RNA) where: Base-Base interactions energy: -679.371 where: short stacking energy: -291.670 Base-Backbone interact. energy: 2.408 local terms energy: -349.799785 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -75.111 flat angles P-C4'-P energy: -71.398 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: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -632.931227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.931227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.931227 (E_RNA) where: Base-Base interactions energy: -371.090 where: short stacking energy: -206.192 Base-Backbone interact. energy: 0.234 local terms energy: -262.074878 where: bonds (distance) C4'-P energy: -59.803 bonds (distance) P-C4' energy: -74.768 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -17.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -484.600268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.600268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.600268 (E_RNA) where: Base-Base interactions energy: -216.990 where: short stacking energy: -120.063 Base-Backbone interact. energy: 1.954 local terms energy: -269.564411 where: bonds (distance) C4'-P energy: -86.657 bonds (distance) P-C4' energy: -83.095 flat angles C4'-P-C4' energy: -83.701 flat angles P-C4'-P energy: -33.741 tors. eta vs tors. theta energy: 17.629 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: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1716.652877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.652877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.652877 (E_RNA) where: Base-Base interactions energy: -1209.789 where: short stacking energy: -504.588 Base-Backbone interact. energy: -2.015 local terms energy: -504.848360 where: bonds (distance) C4'-P energy: -95.877 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -104.207 flat angles P-C4'-P energy: -79.539 tors. eta vs tors. theta energy: -134.261 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: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1679.788786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.788786 (E_RNA) where: Base-Base interactions energy: -1201.589 where: short stacking energy: -464.992 Base-Backbone interact. energy: 0.485 local terms energy: -478.684512 where: bonds (distance) C4'-P energy: -95.901 bonds (distance) P-C4' energy: -101.405 flat angles C4'-P-C4' energy: -109.307 flat angles P-C4'-P energy: -65.300 tors. eta vs tors. theta energy: -106.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1625.207996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.207996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.207996 (E_RNA) where: Base-Base interactions energy: -1163.015 where: short stacking energy: -505.636 Base-Backbone interact. energy: -1.475 local terms energy: -460.718421 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -75.288 flat angles C4'-P-C4' energy: -95.554 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -136.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1479.300764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.300764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.300764 (E_RNA) where: Base-Base interactions energy: -1008.025 where: short stacking energy: -449.979 Base-Backbone interact. energy: -2.505 local terms energy: -468.770985 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -88.796 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -56.524 tors. eta vs tors. theta energy: -125.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1385.734541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.734541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.734541 (E_RNA) where: Base-Base interactions energy: -953.989 where: short stacking energy: -385.058 Base-Backbone interact. energy: -4.247 local terms energy: -427.498949 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -82.531 flat angles C4'-P-C4' energy: -81.109 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -107.271 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: 274 Temperature: 1.150000 Total energy: -1247.563668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.563668 (E_RNA) where: Base-Base interactions energy: -833.967 where: short stacking energy: -375.797 Base-Backbone interact. energy: 2.411 local terms energy: -416.008530 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -98.083 flat angles C4'-P-C4' energy: -88.115 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -98.689 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: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1154.621392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.621392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.621392 (E_RNA) where: Base-Base interactions energy: -786.232 where: short stacking energy: -326.287 Base-Backbone interact. energy: 0.837 local terms energy: -369.225633 where: bonds (distance) C4'-P energy: -77.277 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -85.463 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -64.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1053.566133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.566133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.566133 (E_RNA) where: Base-Base interactions energy: -687.399 where: short stacking energy: -286.755 Base-Backbone interact. energy: -2.198 local terms energy: -363.969791 where: bonds (distance) C4'-P energy: -74.011 bonds (distance) P-C4' energy: -84.017 flat angles C4'-P-C4' energy: -71.865 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -69.698 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: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -659.447155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.447155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.447155 (E_RNA) where: Base-Base interactions energy: -366.137 where: short stacking energy: -176.526 Base-Backbone interact. energy: 1.200 local terms energy: -294.510488 where: bonds (distance) C4'-P energy: -77.700 bonds (distance) P-C4' energy: -91.655 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -42.633 tors. eta vs tors. theta energy: -8.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -461.929999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.929999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.929999 (E_RNA) where: Base-Base interactions energy: -186.462 where: short stacking energy: -119.416 Base-Backbone interact. energy: 1.406 local terms energy: -276.873625 where: bonds (distance) C4'-P energy: -82.624 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: 1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1709.583840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.583840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.583840 (E_RNA) where: Base-Base interactions energy: -1196.561 where: short stacking energy: -484.350 Base-Backbone interact. energy: -2.845 local terms energy: -510.178224 where: bonds (distance) C4'-P energy: -105.683 bonds (distance) P-C4' energy: -98.899 flat angles C4'-P-C4' energy: -94.272 flat angles P-C4'-P energy: -77.528 tors. eta vs tors. theta energy: -133.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1668.946405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.946405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.946405 (E_RNA) where: Base-Base interactions energy: -1190.935 where: short stacking energy: -462.783 Base-Backbone interact. energy: 3.127 local terms energy: -481.138393 where: bonds (distance) C4'-P energy: -94.272 bonds (distance) P-C4' energy: -91.662 flat angles C4'-P-C4' energy: -113.610 flat angles P-C4'-P energy: -72.576 tors. eta vs tors. theta energy: -109.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1599.861675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.861675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.861675 (E_RNA) where: Base-Base interactions energy: -1129.331 where: short stacking energy: -456.632 Base-Backbone interact. energy: -3.050 local terms energy: -467.480319 where: bonds (distance) C4'-P energy: -95.500 bonds (distance) P-C4' energy: -75.978 flat angles C4'-P-C4' energy: -96.634 flat angles P-C4'-P energy: -81.629 tors. eta vs tors. theta energy: -117.739 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: 4, replica: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1453.870869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.870869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.870869 (E_RNA) where: Base-Base interactions energy: -993.960 where: short stacking energy: -432.398 Base-Backbone interact. energy: -0.470 local terms energy: -459.440365 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -86.055 flat angles C4'-P-C4' energy: -101.484 flat angles P-C4'-P energy: -69.252 tors. eta vs tors. theta energy: -118.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1335.812761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.812761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.812761 (E_RNA) where: Base-Base interactions energy: -904.141 where: short stacking energy: -400.595 Base-Backbone interact. energy: -3.593 local terms energy: -428.078856 where: bonds (distance) C4'-P energy: -88.211 bonds (distance) P-C4' energy: -85.226 flat angles C4'-P-C4' energy: -85.403 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: -110.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1203.518149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.518149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.518149 (E_RNA) where: Base-Base interactions energy: -797.467 where: short stacking energy: -362.832 Base-Backbone interact. energy: 6.560 local terms energy: -412.611045 where: bonds (distance) C4'-P energy: -85.333 bonds (distance) P-C4' energy: -86.386 flat angles C4'-P-C4' energy: -89.288 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -83.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1219.163684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.163684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.163684 (E_RNA) where: Base-Base interactions energy: -831.460 where: short stacking energy: -368.042 Base-Backbone interact. energy: -3.966 local terms energy: -383.737765 where: bonds (distance) C4'-P energy: -72.551 bonds (distance) P-C4' energy: -88.308 flat angles C4'-P-C4' energy: -79.621 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -84.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1075.323942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.323942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.323942 (E_RNA) where: Base-Base interactions energy: -724.922 where: short stacking energy: -317.226 Base-Backbone interact. energy: -3.446 local terms energy: -346.955593 where: bonds (distance) C4'-P energy: -58.329 bonds (distance) P-C4' energy: -91.213 flat angles C4'-P-C4' energy: -86.331 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: -62.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -692.600219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.600219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.600219 (E_RNA) where: Base-Base interactions energy: -386.782 where: short stacking energy: -215.964 Base-Backbone interact. energy: 5.694 local terms energy: -311.512576 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -79.256 flat angles C4'-P-C4' energy: -84.307 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: -20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -466.605944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.605944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.605944 (E_RNA) where: Base-Base interactions energy: -213.529 where: short stacking energy: -120.354 Base-Backbone interact. energy: 2.190 local terms energy: -255.267375 where: bonds (distance) C4'-P energy: -67.164 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -70.934 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: 12.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1721.168641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.168641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.168641 (E_RNA) where: Base-Base interactions energy: -1205.903 where: short stacking energy: -498.174 Base-Backbone interact. energy: 0.410 local terms energy: -515.675735 where: bonds (distance) C4'-P energy: -97.902 bonds (distance) P-C4' energy: -96.965 flat angles C4'-P-C4' energy: -108.636 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -135.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1647.986979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.986979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.986979 (E_RNA) where: Base-Base interactions energy: -1186.079 where: short stacking energy: -466.934 Base-Backbone interact. energy: -3.669 local terms energy: -458.238844 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -89.386 flat angles C4'-P-C4' energy: -104.260 flat angles P-C4'-P energy: -66.150 tors. eta vs tors. theta energy: -112.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1623.410428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.410428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.410428 (E_RNA) where: Base-Base interactions energy: -1128.958 where: short stacking energy: -496.275 Base-Backbone interact. energy: -2.004 local terms energy: -492.448647 where: bonds (distance) C4'-P energy: -89.719 bonds (distance) P-C4' energy: -89.021 flat angles C4'-P-C4' energy: -103.836 flat angles P-C4'-P energy: -69.025 tors. eta vs tors. theta energy: -140.848 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: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1491.503356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.503356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.503356 (E_RNA) where: Base-Base interactions energy: -1028.796 where: short stacking energy: -474.622 Base-Backbone interact. energy: 3.018 local terms energy: -465.725333 where: bonds (distance) C4'-P energy: -76.691 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -96.333 flat angles P-C4'-P energy: -68.319 tors. eta vs tors. theta energy: -130.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1391.907019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.907019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.907019 (E_RNA) where: Base-Base interactions energy: -973.289 where: short stacking energy: -387.641 Base-Backbone interact. energy: 2.181 local terms energy: -420.799344 where: bonds (distance) C4'-P energy: -96.594 bonds (distance) P-C4' energy: -75.148 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -106.419 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1197.733361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.733361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.733361 (E_RNA) where: Base-Base interactions energy: -815.664 where: short stacking energy: -346.135 Base-Backbone interact. energy: -0.285 local terms energy: -381.783608 where: bonds (distance) C4'-P energy: -87.840 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -84.974 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -70.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1215.293237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.293237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.293237 (E_RNA) where: Base-Base interactions energy: -813.178 where: short stacking energy: -356.898 Base-Backbone interact. energy: -0.450 local terms energy: -401.665305 where: bonds (distance) C4'-P energy: -84.422 bonds (distance) P-C4' energy: -81.205 flat angles C4'-P-C4' energy: -88.616 flat angles P-C4'-P energy: -60.223 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: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1066.012577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.012577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.012577 (E_RNA) where: Base-Base interactions energy: -713.751 where: short stacking energy: -298.932 Base-Backbone interact. energy: 1.222 local terms energy: -353.483876 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: -40.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -733.024112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.024112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.024112 (E_RNA) where: Base-Base interactions energy: -414.617 where: short stacking energy: -209.803 Base-Backbone interact. energy: -3.689 local terms energy: -314.717633 where: bonds (distance) C4'-P energy: -85.003 bonds (distance) P-C4' energy: -82.747 flat angles C4'-P-C4' energy: -64.477 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -27.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -488.137950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.137950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.137950 (E_RNA) where: Base-Base interactions energy: -216.420 where: short stacking energy: -126.884 Base-Backbone interact. energy: 0.973 local terms energy: -272.690932 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -90.247 flat angles C4'-P-C4' energy: -63.334 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: 1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1700.625096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.625096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.625096 (E_RNA) where: Base-Base interactions energy: -1211.433 where: short stacking energy: -503.649 Base-Backbone interact. energy: -1.463 local terms energy: -487.729932 where: bonds (distance) C4'-P energy: -96.186 bonds (distance) P-C4' energy: -85.273 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -66.083 tors. eta vs tors. theta energy: -138.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1686.398682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.398682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.398682 (E_RNA) where: Base-Base interactions energy: -1200.010 where: short stacking energy: -458.915 Base-Backbone interact. energy: -6.464 local terms energy: -479.924766 where: bonds (distance) C4'-P energy: -92.357 bonds (distance) P-C4' energy: -95.268 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -111.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1618.130611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.130611 (E_RNA) where: Base-Base interactions energy: -1143.651 where: short stacking energy: -498.871 Base-Backbone interact. energy: -3.926 local terms energy: -470.553896 where: bonds (distance) C4'-P energy: -78.388 bonds (distance) P-C4' energy: -93.229 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -134.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1454.949551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.949551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.949551 (E_RNA) where: Base-Base interactions energy: -988.111 where: short stacking energy: -430.966 Base-Backbone interact. energy: -1.201 local terms energy: -465.637454 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -83.637 flat angles C4'-P-C4' energy: -101.546 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -115.744 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: 277 Temperature: 1.100000 Total energy: -1403.346871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.346871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.346871 (E_RNA) where: Base-Base interactions energy: -972.270 where: short stacking energy: -396.375 Base-Backbone interact. energy: 0.403 local terms energy: -431.480049 where: bonds (distance) C4'-P energy: -82.347 bonds (distance) P-C4' energy: -95.348 flat angles C4'-P-C4' energy: -86.866 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -103.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1255.999264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.999264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.999264 (E_RNA) where: Base-Base interactions energy: -871.390 where: short stacking energy: -365.903 Base-Backbone interact. energy: -2.213 local terms energy: -382.396323 where: bonds (distance) C4'-P energy: -78.513 bonds (distance) P-C4' energy: -80.680 flat angles C4'-P-C4' energy: -85.944 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -87.774 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: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1150.528640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.528640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.528640 (E_RNA) where: Base-Base interactions energy: -800.675 where: short stacking energy: -349.817 Base-Backbone interact. energy: 2.689 local terms energy: -352.542516 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -84.938 flat angles C4'-P-C4' energy: -84.696 flat angles P-C4'-P energy: -42.080 tors. eta vs tors. theta energy: -80.644 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: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1065.524810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.524810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.524810 (E_RNA) where: Base-Base interactions energy: -710.947 where: short stacking energy: -279.501 Base-Backbone interact. energy: 6.049 local terms energy: -360.626764 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -87.899 flat angles C4'-P-C4' energy: -96.495 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -32.549 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: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -718.630283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.630283 (E_RNA) where: Base-Base interactions energy: -419.853 where: short stacking energy: -214.282 Base-Backbone interact. energy: 0.798 local terms energy: -299.574866 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -80.054 flat angles C4'-P-C4' energy: -70.831 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: -34.900 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: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -494.210187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.210187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.210187 (E_RNA) where: Base-Base interactions energy: -211.542 where: short stacking energy: -141.530 Base-Backbone interact. energy: -1.694 local terms energy: -280.975010 where: bonds (distance) C4'-P energy: -73.915 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -72.191 flat angles P-C4'-P energy: -42.385 tors. eta vs tors. theta energy: -3.660 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: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1703.961516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.961516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.961516 (E_RNA) where: Base-Base interactions energy: -1208.643 where: short stacking energy: -488.812 Base-Backbone interact. energy: -4.306 local terms energy: -491.012078 where: bonds (distance) C4'-P energy: -90.906 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -104.091 flat angles P-C4'-P energy: -77.292 tors. eta vs tors. theta energy: -133.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1677.991972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.991972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.991972 (E_RNA) where: Base-Base interactions energy: -1206.162 where: short stacking energy: -467.385 Base-Backbone interact. energy: -0.786 local terms energy: -471.044796 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -108.059 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -117.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1628.210810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.210810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.210810 (E_RNA) where: Base-Base interactions energy: -1134.473 where: short stacking energy: -491.267 Base-Backbone interact. energy: -3.157 local terms energy: -490.581139 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -97.820 flat angles C4'-P-C4' energy: -94.876 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -140.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1462.203211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.203211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.203211 (E_RNA) where: Base-Base interactions energy: -987.771 where: short stacking energy: -446.623 Base-Backbone interact. energy: -0.473 local terms energy: -473.958626 where: bonds (distance) C4'-P energy: -94.426 bonds (distance) P-C4' energy: -87.473 flat angles C4'-P-C4' energy: -102.313 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -125.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1362.459903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.459903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.459903 (E_RNA) where: Base-Base interactions energy: -921.265 where: short stacking energy: -409.373 Base-Backbone interact. energy: -2.120 local terms energy: -439.075260 where: bonds (distance) C4'-P energy: -89.532 bonds (distance) P-C4' energy: -92.642 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -111.256 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: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1207.211690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.211690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.211690 (E_RNA) where: Base-Base interactions energy: -815.390 where: short stacking energy: -364.555 Base-Backbone interact. energy: -1.691 local terms energy: -390.130478 where: bonds (distance) C4'-P energy: -80.860 bonds (distance) P-C4' energy: -96.684 flat angles C4'-P-C4' energy: -80.296 flat angles P-C4'-P energy: -50.032 tors. eta vs tors. theta energy: -82.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1152.139140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.139140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.139140 (E_RNA) where: Base-Base interactions energy: -793.212 where: short stacking energy: -337.322 Base-Backbone interact. energy: 0.821 local terms energy: -359.748375 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -55.601 tors. eta vs tors. theta energy: -68.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1079.113723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.113723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.113723 (E_RNA) where: Base-Base interactions energy: -720.597 where: short stacking energy: -305.708 Base-Backbone interact. energy: -2.202 local terms energy: -356.314286 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -85.060 flat angles C4'-P-C4' energy: -74.967 flat angles P-C4'-P energy: -57.957 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: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -662.381845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.381845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.381845 (E_RNA) where: Base-Base interactions energy: -359.146 where: short stacking energy: -187.753 Base-Backbone interact. energy: -2.121 local terms energy: -301.114713 where: bonds (distance) C4'-P energy: -81.057 bonds (distance) P-C4' energy: -93.295 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -34.432 tors. eta vs tors. theta energy: -14.274 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: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -480.217217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.217217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.217217 (E_RNA) where: Base-Base interactions energy: -214.531 where: short stacking energy: -138.641 Base-Backbone interact. energy: 2.597 local terms energy: -268.283537 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -88.401 flat angles C4'-P-C4' energy: -79.677 flat angles P-C4'-P energy: -42.114 tors. eta vs tors. theta energy: 0.362 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: 1, replica: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1712.564435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.564435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.564435 (E_RNA) where: Base-Base interactions energy: -1210.489 where: short stacking energy: -483.949 Base-Backbone interact. energy: -2.304 local terms energy: -499.771739 where: bonds (distance) C4'-P energy: -95.340 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -113.566 flat angles P-C4'-P energy: -68.121 tors. eta vs tors. theta energy: -122.978 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: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1682.169991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.169991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.169991 (E_RNA) where: Base-Base interactions energy: -1193.697 where: short stacking energy: -457.997 Base-Backbone interact. energy: -3.262 local terms energy: -485.210600 where: bonds (distance) C4'-P energy: -100.350 bonds (distance) P-C4' energy: -91.260 flat angles C4'-P-C4' energy: -100.481 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: -123.010 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: 279 Temperature: 1.000000 Total energy: -1649.870592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.870592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.870592 (E_RNA) where: Base-Base interactions energy: -1166.698 where: short stacking energy: -497.567 Base-Backbone interact. energy: 3.689 local terms energy: -486.861286 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -86.932 flat angles C4'-P-C4' energy: -98.366 flat angles P-C4'-P energy: -81.848 tors. eta vs tors. theta energy: -133.317 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: 279 Temperature: 1.050000 Total energy: -1455.092698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.092698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.092698 (E_RNA) where: Base-Base interactions energy: -1008.059 where: short stacking energy: -429.082 Base-Backbone interact. energy: -0.191 local terms energy: -446.842082 where: bonds (distance) C4'-P energy: -87.681 bonds (distance) P-C4' energy: -92.817 flat angles C4'-P-C4' energy: -93.459 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -111.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1402.594145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.594145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.594145 (E_RNA) where: Base-Base interactions energy: -963.117 where: short stacking energy: -447.362 Base-Backbone interact. energy: -2.374 local terms energy: -437.103679 where: bonds (distance) C4'-P energy: -86.714 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -95.039 flat angles P-C4'-P energy: -48.187 tors. eta vs tors. theta energy: -115.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1208.995378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.995378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.995378 (E_RNA) where: Base-Base interactions energy: -826.621 where: short stacking energy: -338.660 Base-Backbone interact. energy: -0.749 local terms energy: -381.625077 where: bonds (distance) C4'-P energy: -74.603 bonds (distance) P-C4' energy: -91.651 flat angles C4'-P-C4' energy: -76.121 flat angles P-C4'-P energy: -63.520 tors. eta vs tors. theta energy: -75.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1177.036737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.036737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.036737 (E_RNA) where: Base-Base interactions energy: -790.666 where: short stacking energy: -355.879 Base-Backbone interact. energy: 0.665 local terms energy: -387.035920 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -96.522 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -89.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1075.616931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.616931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.616931 (E_RNA) where: Base-Base interactions energy: -707.170 where: short stacking energy: -297.110 Base-Backbone interact. energy: 0.818 local terms energy: -369.264851 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -71.981 flat angles C4'-P-C4' energy: -93.592 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -65.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -678.285513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.285513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.285513 (E_RNA) where: Base-Base interactions energy: -358.919 where: short stacking energy: -182.577 Base-Backbone interact. energy: -3.021 local terms energy: -316.345389 where: bonds (distance) C4'-P energy: -93.461 bonds (distance) P-C4' energy: -87.005 flat angles C4'-P-C4' energy: -77.135 flat angles P-C4'-P energy: -32.119 tors. eta vs tors. theta energy: -26.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -492.105979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.105979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.105979 (E_RNA) where: Base-Base interactions energy: -245.241 where: short stacking energy: -141.910 Base-Backbone interact. energy: -2.553 local terms energy: -244.311633 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -71.885 flat angles C4'-P-C4' energy: -58.068 flat angles P-C4'-P energy: -48.464 tors. eta vs tors. theta energy: 11.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1733.686097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.686097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.686097 (E_RNA) where: Base-Base interactions energy: -1221.281 where: short stacking energy: -504.443 Base-Backbone interact. energy: -4.034 local terms energy: -508.370517 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -106.516 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -134.829 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: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1687.449875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.449875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.449875 (E_RNA) where: Base-Base interactions energy: -1215.009 where: short stacking energy: -465.300 Base-Backbone interact. energy: -3.662 local terms energy: -468.778578 where: bonds (distance) C4'-P energy: -97.074 bonds (distance) P-C4' energy: -84.658 flat angles C4'-P-C4' energy: -106.579 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: -119.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1625.731741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.731741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.731741 (E_RNA) where: Base-Base interactions energy: -1154.987 where: short stacking energy: -484.264 Base-Backbone interact. energy: 3.154 local terms energy: -473.898304 where: bonds (distance) C4'-P energy: -87.709 bonds (distance) P-C4' energy: -91.935 flat angles C4'-P-C4' energy: -99.697 flat angles P-C4'-P energy: -65.000 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1515.285516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.285516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.285516 (E_RNA) where: Base-Base interactions energy: -1043.672 where: short stacking energy: -439.059 Base-Backbone interact. energy: -0.278 local terms energy: -471.334976 where: bonds (distance) C4'-P energy: -90.361 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -98.667 flat angles P-C4'-P energy: -63.046 tors. eta vs tors. theta energy: -126.656 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: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1436.400470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.400470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.400470 (E_RNA) where: Base-Base interactions energy: -975.524 where: short stacking energy: -429.281 Base-Backbone interact. energy: 1.629 local terms energy: -462.505226 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -93.268 flat angles C4'-P-C4' energy: -102.011 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -108.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1236.356072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.356072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.356072 (E_RNA) where: Base-Base interactions energy: -847.711 where: short stacking energy: -364.450 Base-Backbone interact. energy: -3.293 local terms energy: -385.352916 where: bonds (distance) C4'-P energy: -81.050 bonds (distance) P-C4' energy: -86.118 flat angles C4'-P-C4' energy: -91.048 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -74.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1152.592360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.592360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.592360 (E_RNA) where: Base-Base interactions energy: -766.387 where: short stacking energy: -347.669 Base-Backbone interact. energy: -1.958 local terms energy: -384.247994 where: bonds (distance) C4'-P energy: -67.904 bonds (distance) P-C4' energy: -90.306 flat angles C4'-P-C4' energy: -82.892 flat angles P-C4'-P energy: -58.481 tors. eta vs tors. theta energy: -84.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1101.777658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.777658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.777658 (E_RNA) where: Base-Base interactions energy: -750.644 where: short stacking energy: -343.766 Base-Backbone interact. energy: 1.248 local terms energy: -352.381957 where: bonds (distance) C4'-P energy: -74.394 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -40.811 tors. eta vs tors. theta energy: -66.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -689.772372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.772372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.772372 (E_RNA) where: Base-Base interactions energy: -393.935 where: short stacking energy: -218.850 Base-Backbone interact. energy: -1.530 local terms energy: -294.307059 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -64.152 flat angles P-C4'-P energy: -25.603 tors. eta vs tors. theta energy: -38.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -545.055870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.055870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.055870 (E_RNA) where: Base-Base interactions energy: -292.117 where: short stacking energy: -175.247 Base-Backbone interact. energy: 0.145 local terms energy: -253.083353 where: bonds (distance) C4'-P energy: -73.680 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -65.397 flat angles P-C4'-P energy: -50.175 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1702.265293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.265293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.265293 (E_RNA) where: Base-Base interactions energy: -1203.795 where: short stacking energy: -490.610 Base-Backbone interact. energy: -1.540 local terms energy: -496.929977 where: bonds (distance) C4'-P energy: -96.599 bonds (distance) P-C4' energy: -90.856 flat angles C4'-P-C4' energy: -111.298 flat angles P-C4'-P energy: -77.419 tors. eta vs tors. theta energy: -120.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1664.155817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.155817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.155817 (E_RNA) where: Base-Base interactions energy: -1182.924 where: short stacking energy: -456.369 Base-Backbone interact. energy: -2.286 local terms energy: -478.946666 where: bonds (distance) C4'-P energy: -92.608 bonds (distance) P-C4' energy: -89.748 flat angles C4'-P-C4' energy: -109.747 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -120.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1640.362500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.362500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.362500 (E_RNA) where: Base-Base interactions energy: -1163.522 where: short stacking energy: -485.715 Base-Backbone interact. energy: -0.786 local terms energy: -476.054865 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -80.039 flat angles C4'-P-C4' energy: -106.964 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -127.718 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: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1509.987085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.987085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.987085 (E_RNA) where: Base-Base interactions energy: -1053.699 where: short stacking energy: -461.233 Base-Backbone interact. energy: -4.976 local terms energy: -451.312387 where: bonds (distance) C4'-P energy: -86.126 bonds (distance) P-C4' energy: -89.310 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -48.354 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: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1378.068068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.068068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.068068 (E_RNA) where: Base-Base interactions energy: -940.099 where: short stacking energy: -387.734 Base-Backbone interact. energy: -3.034 local terms energy: -434.935006 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -87.836 flat angles C4'-P-C4' energy: -91.081 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -107.466 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: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1207.901186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.901186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.901186 (E_RNA) where: Base-Base interactions energy: -823.576 where: short stacking energy: -342.568 Base-Backbone interact. energy: 3.710 local terms energy: -388.035591 where: bonds (distance) C4'-P energy: -72.407 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -95.198 flat angles P-C4'-P energy: -62.130 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: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1098.401378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.401378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.401378 (E_RNA) where: Base-Base interactions energy: -718.809 where: short stacking energy: -296.488 Base-Backbone interact. energy: -2.424 local terms energy: -377.169145 where: bonds (distance) C4'-P energy: -79.622 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -85.800 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -63.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1071.802216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.802216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.802216 (E_RNA) where: Base-Base interactions energy: -758.896 where: short stacking energy: -326.702 Base-Backbone interact. energy: -0.223 local terms energy: -312.682991 where: bonds (distance) C4'-P energy: -72.790 bonds (distance) P-C4' energy: -83.789 flat angles C4'-P-C4' energy: -56.266 flat angles P-C4'-P energy: -50.286 tors. eta vs tors. theta energy: -49.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -581.391981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.391981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.391981 (E_RNA) where: Base-Base interactions energy: -289.941 where: short stacking energy: -176.280 Base-Backbone interact. energy: 1.530 local terms energy: -292.980509 where: bonds (distance) C4'-P energy: -69.251 bonds (distance) P-C4' energy: -76.564 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -48.027 tors. eta vs tors. theta energy: -15.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -560.356691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.356691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.356691 (E_RNA) where: Base-Base interactions energy: -299.290 where: short stacking energy: -162.120 Base-Backbone interact. energy: -1.310 local terms energy: -259.756400 where: bonds (distance) C4'-P energy: -84.493 bonds (distance) P-C4' energy: -79.605 flat angles C4'-P-C4' energy: -58.896 flat angles P-C4'-P energy: -32.121 tors. eta vs tors. theta energy: -4.642 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: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1718.138142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.138142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.138142 (E_RNA) where: Base-Base interactions energy: -1202.946 where: short stacking energy: -508.477 Base-Backbone interact. energy: -4.817 local terms energy: -510.375163 where: bonds (distance) C4'-P energy: -97.506 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -73.387 tors. eta vs tors. theta energy: -131.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1686.463005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.463005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.463005 (E_RNA) where: Base-Base interactions energy: -1202.663 where: short stacking energy: -472.628 Base-Backbone interact. energy: -4.371 local terms energy: -479.428774 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -96.114 flat angles C4'-P-C4' energy: -106.747 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -120.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1592.527544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.527544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.527544 (E_RNA) where: Base-Base interactions energy: -1126.966 where: short stacking energy: -455.984 Base-Backbone interact. energy: -0.428 local terms energy: -465.133695 where: bonds (distance) C4'-P energy: -84.983 bonds (distance) P-C4' energy: -95.563 flat angles C4'-P-C4' energy: -105.062 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -119.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1535.245817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.245817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.245817 (E_RNA) where: Base-Base interactions energy: -1072.551 where: short stacking energy: -446.301 Base-Backbone interact. energy: -1.994 local terms energy: -460.701686 where: bonds (distance) C4'-P energy: -80.684 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -103.888 flat angles P-C4'-P energy: -73.730 tors. eta vs tors. theta energy: -112.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1407.725242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.725242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.725242 (E_RNA) where: Base-Base interactions energy: -989.783 where: short stacking energy: -407.543 Base-Backbone interact. energy: -1.951 local terms energy: -415.991229 where: bonds (distance) C4'-P energy: -81.926 bonds (distance) P-C4' energy: -76.705 flat angles C4'-P-C4' energy: -89.030 flat angles P-C4'-P energy: -62.804 tors. eta vs tors. theta energy: -105.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1249.423567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.423567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.423567 (E_RNA) where: Base-Base interactions energy: -842.802 where: short stacking energy: -368.560 Base-Backbone interact. energy: 1.509 local terms energy: -408.131097 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -62.694 tors. eta vs tors. theta energy: -83.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1076.404795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.404795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.404795 (E_RNA) where: Base-Base interactions energy: -727.220 where: short stacking energy: -299.943 Base-Backbone interact. energy: 1.728 local terms energy: -350.912760 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -80.434 flat angles C4'-P-C4' energy: -81.190 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -49.084 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: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1043.867747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.867747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.867747 (E_RNA) where: Base-Base interactions energy: -683.230 where: short stacking energy: -283.677 Base-Backbone interact. energy: 7.707 local terms energy: -368.345371 where: bonds (distance) C4'-P energy: -80.711 bonds (distance) P-C4' energy: -90.208 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -67.982 tors. eta vs tors. theta energy: -62.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -651.572172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.572172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.572172 (E_RNA) where: Base-Base interactions energy: -366.262 where: short stacking energy: -172.605 Base-Backbone interact. energy: -2.035 local terms energy: -283.274855 where: bonds (distance) C4'-P energy: -68.159 bonds (distance) P-C4' energy: -87.411 flat angles C4'-P-C4' energy: -73.556 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: 1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -510.463799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.463799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.463799 (E_RNA) where: Base-Base interactions energy: -258.549 where: short stacking energy: -117.449 Base-Backbone interact. energy: -3.544 local terms energy: -248.370290 where: bonds (distance) C4'-P energy: -81.211 bonds (distance) P-C4' energy: -82.502 flat angles C4'-P-C4' energy: -68.342 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: 18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1690.153356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.153356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.153356 (E_RNA) where: Base-Base interactions energy: -1189.657 where: short stacking energy: -473.004 Base-Backbone interact. energy: -3.245 local terms energy: -497.251683 where: bonds (distance) C4'-P energy: -104.262 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -84.759 tors. eta vs tors. theta energy: -132.101 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1675.974674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.974674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.974674 (E_RNA) where: Base-Base interactions energy: -1202.546 where: short stacking energy: -474.048 Base-Backbone interact. energy: -3.666 local terms energy: -469.762465 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -67.452 tors. eta vs tors. theta energy: -116.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1621.183286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.183286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.183286 (E_RNA) where: Base-Base interactions energy: -1125.433 where: short stacking energy: -478.407 Base-Backbone interact. energy: -2.468 local terms energy: -493.283026 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -108.177 flat angles P-C4'-P energy: -77.525 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: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1513.471535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.471535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.471535 (E_RNA) where: Base-Base interactions energy: -1061.535 where: short stacking energy: -436.132 Base-Backbone interact. energy: 0.374 local terms energy: -452.309907 where: bonds (distance) C4'-P energy: -89.586 bonds (distance) P-C4' energy: -74.756 flat angles C4'-P-C4' energy: -106.355 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -114.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1437.744334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.744334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.744334 (E_RNA) where: Base-Base interactions energy: -995.192 where: short stacking energy: -411.166 Base-Backbone interact. energy: -2.921 local terms energy: -439.631376 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -83.795 flat angles C4'-P-C4' energy: -85.658 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -121.679 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: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1280.909849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.909849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.909849 (E_RNA) where: Base-Base interactions energy: -878.179 where: short stacking energy: -366.913 Base-Backbone interact. energy: 6.199 local terms energy: -408.930134 where: bonds (distance) C4'-P energy: -97.455 bonds (distance) P-C4' energy: -80.290 flat angles C4'-P-C4' energy: -85.970 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -84.348 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: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1134.253142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.253142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.253142 (E_RNA) where: Base-Base interactions energy: -788.173 where: short stacking energy: -308.074 Base-Backbone interact. energy: -1.823 local terms energy: -344.257099 where: bonds (distance) C4'-P energy: -74.540 bonds (distance) P-C4' energy: -68.376 flat angles C4'-P-C4' energy: -86.167 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: -68.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1018.166156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.166156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.166156 (E_RNA) where: Base-Base interactions energy: -668.876 where: short stacking energy: -292.371 Base-Backbone interact. energy: 0.797 local terms energy: -350.086557 where: bonds (distance) C4'-P energy: -80.852 bonds (distance) P-C4' energy: -77.694 flat angles C4'-P-C4' energy: -85.033 flat angles P-C4'-P energy: -58.681 tors. eta vs tors. theta energy: -47.826 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: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -571.285685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.285685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.285685 (E_RNA) where: Base-Base interactions energy: -282.979 where: short stacking energy: -167.586 Base-Backbone interact. energy: -1.451 local terms energy: -286.855070 where: bonds (distance) C4'-P energy: -80.571 bonds (distance) P-C4' energy: -80.081 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -526.026686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.026686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.026686 (E_RNA) where: Base-Base interactions energy: -274.096 where: short stacking energy: -149.231 Base-Backbone interact. energy: 3.394 local terms energy: -255.324499 where: bonds (distance) C4'-P energy: -80.751 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -40.730 tors. eta vs tors. theta energy: 8.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1679.847291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.847291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.847291 (E_RNA) where: Base-Base interactions energy: -1194.584 where: short stacking energy: -480.774 Base-Backbone interact. energy: -3.016 local terms energy: -482.246592 where: bonds (distance) C4'-P energy: -95.192 bonds (distance) P-C4' energy: -97.167 flat angles C4'-P-C4' energy: -104.152 flat angles P-C4'-P energy: -63.823 tors. eta vs tors. theta energy: -121.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1645.095635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.095635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.095635 (E_RNA) where: Base-Base interactions energy: -1177.617 where: short stacking energy: -479.574 Base-Backbone interact. energy: -1.508 local terms energy: -465.970649 where: bonds (distance) C4'-P energy: -85.302 bonds (distance) P-C4' energy: -91.477 flat angles C4'-P-C4' energy: -99.617 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -123.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1616.833987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.833987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.833987 (E_RNA) where: Base-Base interactions energy: -1117.506 where: short stacking energy: -497.980 Base-Backbone interact. energy: -3.691 local terms energy: -495.637397 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -104.304 flat angles P-C4'-P energy: -75.227 tors. eta vs tors. theta energy: -136.798 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: 284 Temperature: 1.050000 Total energy: -1542.672146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.672146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.672146 (E_RNA) where: Base-Base interactions energy: -1068.971 where: short stacking energy: -451.226 Base-Backbone interact. energy: 0.705 local terms energy: -474.406952 where: bonds (distance) C4'-P energy: -86.303 bonds (distance) P-C4' energy: -94.025 flat angles C4'-P-C4' energy: -105.610 flat angles P-C4'-P energy: -66.155 tors. eta vs tors. theta energy: -122.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1455.073403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.073403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.073403 (E_RNA) where: Base-Base interactions energy: -1003.515 where: short stacking energy: -420.884 Base-Backbone interact. energy: -0.773 local terms energy: -450.785673 where: bonds (distance) C4'-P energy: -98.354 bonds (distance) P-C4' energy: -77.457 flat angles C4'-P-C4' energy: -93.999 flat angles P-C4'-P energy: -59.187 tors. eta vs tors. theta energy: -121.789 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: 284 Temperature: 1.150000 Total energy: -1290.219094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.219094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.219094 (E_RNA) where: Base-Base interactions energy: -884.687 where: short stacking energy: -381.805 Base-Backbone interact. energy: -3.431 local terms energy: -402.100999 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -85.514 flat angles C4'-P-C4' energy: -93.263 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -99.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1132.935863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.935863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.935863 (E_RNA) where: Base-Base interactions energy: -780.327 where: short stacking energy: -325.911 Base-Backbone interact. energy: 0.767 local terms energy: -353.375518 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -83.948 flat angles C4'-P-C4' energy: -81.618 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -68.486 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: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1048.460115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.460115 (E_RNA) where: Base-Base interactions energy: -709.961 where: short stacking energy: -278.829 Base-Backbone interact. energy: -0.562 local terms energy: -337.937332 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -73.477 flat angles C4'-P-C4' energy: -80.649 flat angles P-C4'-P energy: -49.752 tors. eta vs tors. theta energy: -55.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -580.275440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.275440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.275440 (E_RNA) where: Base-Base interactions energy: -289.274 where: short stacking energy: -155.180 Base-Backbone interact. energy: -2.323 local terms energy: -288.678448 where: bonds (distance) C4'-P energy: -67.578 bonds (distance) P-C4' energy: -79.386 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -54.696 tors. eta vs tors. theta energy: -16.063 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: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -551.833482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.833482 (E_RNA) where: Base-Base interactions energy: -266.895 where: short stacking energy: -163.072 Base-Backbone interact. energy: 0.003 local terms energy: -284.941729 where: bonds (distance) C4'-P energy: -72.174 bonds (distance) P-C4' energy: -93.172 flat angles C4'-P-C4' energy: -66.039 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -2.280 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: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1716.201624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.201624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.201624 (E_RNA) where: Base-Base interactions energy: -1227.204 where: short stacking energy: -485.671 Base-Backbone interact. energy: -3.157 local terms energy: -485.840311 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -102.176 flat angles P-C4'-P energy: -75.299 tors. eta vs tors. theta energy: -121.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1682.905714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.905714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.905714 (E_RNA) where: Base-Base interactions energy: -1206.378 where: short stacking energy: -472.606 Base-Backbone interact. energy: -5.303 local terms energy: -471.224489 where: bonds (distance) C4'-P energy: -76.686 bonds (distance) P-C4' energy: -100.869 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -112.458 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: 285 Temperature: 1.000000 Total energy: -1633.058646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.058646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.058646 (E_RNA) where: Base-Base interactions energy: -1124.740 where: short stacking energy: -485.528 Base-Backbone interact. energy: -5.050 local terms energy: -503.268815 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -102.406 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -144.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1528.930429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.930429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.930429 (E_RNA) where: Base-Base interactions energy: -1077.303 where: short stacking energy: -449.094 Base-Backbone interact. energy: -1.625 local terms energy: -450.002321 where: bonds (distance) C4'-P energy: -82.843 bonds (distance) P-C4' energy: -79.924 flat angles C4'-P-C4' energy: -97.199 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -125.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1436.905551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.905551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.905551 (E_RNA) where: Base-Base interactions energy: -1014.345 where: short stacking energy: -420.742 Base-Backbone interact. energy: -3.270 local terms energy: -419.290802 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -87.258 flat angles C4'-P-C4' energy: -93.439 flat angles P-C4'-P energy: -68.811 tors. eta vs tors. theta energy: -96.213 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: 285 Temperature: 1.150000 Total energy: -1250.660625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.660625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.660625 (E_RNA) where: Base-Base interactions energy: -858.417 where: short stacking energy: -364.994 Base-Backbone interact. energy: -3.684 local terms energy: -388.559139 where: bonds (distance) C4'-P energy: -74.725 bonds (distance) P-C4' energy: -80.413 flat angles C4'-P-C4' energy: -91.067 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -95.146 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: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1130.306725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.306725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.306725 (E_RNA) where: Base-Base interactions energy: -764.674 where: short stacking energy: -341.455 Base-Backbone interact. energy: 7.914 local terms energy: -373.546917 where: bonds (distance) C4'-P energy: -68.855 bonds (distance) P-C4' energy: -80.698 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -83.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1084.529566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.529566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.529566 (E_RNA) where: Base-Base interactions energy: -748.166 where: short stacking energy: -320.843 Base-Backbone interact. energy: -1.582 local terms energy: -334.781691 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -66.337 flat angles C4'-P-C4' energy: -88.598 flat angles P-C4'-P energy: -48.791 tors. eta vs tors. theta energy: -60.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -588.941488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.941488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.941488 (E_RNA) where: Base-Base interactions energy: -299.768 where: short stacking energy: -145.428 Base-Backbone interact. energy: -2.539 local terms energy: -286.633899 where: bonds (distance) C4'-P energy: -85.517 bonds (distance) P-C4' energy: -90.827 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -46.165 tors. eta vs tors. theta energy: 5.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -642.013487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.013487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.013487 (E_RNA) where: Base-Base interactions energy: -347.440 where: short stacking energy: -194.376 Base-Backbone interact. energy: -2.703 local terms energy: -291.869680 where: bonds (distance) C4'-P energy: -84.138 bonds (distance) P-C4' energy: -74.684 flat angles C4'-P-C4' energy: -64.526 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -26.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1725.636989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.636989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.636989 (E_RNA) where: Base-Base interactions energy: -1209.157 where: short stacking energy: -474.834 Base-Backbone interact. energy: -3.390 local terms energy: -513.089575 where: bonds (distance) C4'-P energy: -99.521 bonds (distance) P-C4' energy: -103.376 flat angles C4'-P-C4' energy: -102.257 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -133.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1646.260556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.260556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.260556 (E_RNA) where: Base-Base interactions energy: -1190.349 where: short stacking energy: -462.201 Base-Backbone interact. energy: -5.177 local terms energy: -450.733897 where: bonds (distance) C4'-P energy: -93.348 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -97.336 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -98.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1629.194486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.194486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.194486 (E_RNA) where: Base-Base interactions energy: -1120.323 where: short stacking energy: -479.758 Base-Backbone interact. energy: -0.663 local terms energy: -508.207977 where: bonds (distance) C4'-P energy: -86.695 bonds (distance) P-C4' energy: -97.876 flat angles C4'-P-C4' energy: -112.401 flat angles P-C4'-P energy: -75.963 tors. eta vs tors. theta energy: -135.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1534.090299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.090299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.090299 (E_RNA) where: Base-Base interactions energy: -1067.530 where: short stacking energy: -441.774 Base-Backbone interact. energy: -1.973 local terms energy: -464.586778 where: bonds (distance) C4'-P energy: -69.741 bonds (distance) P-C4' energy: -99.093 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -120.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1432.509254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.509254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.509254 (E_RNA) where: Base-Base interactions energy: -990.504 where: short stacking energy: -417.249 Base-Backbone interact. energy: -1.894 local terms energy: -440.110915 where: bonds (distance) C4'-P energy: -75.030 bonds (distance) P-C4' energy: -85.321 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -65.169 tors. eta vs tors. theta energy: -107.060 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1291.546792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.546792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.546792 (E_RNA) where: Base-Base interactions energy: -890.375 where: short stacking energy: -366.350 Base-Backbone interact. energy: -2.811 local terms energy: -398.360561 where: bonds (distance) C4'-P energy: -79.322 bonds (distance) P-C4' energy: -81.551 flat angles C4'-P-C4' energy: -84.884 flat angles P-C4'-P energy: -66.094 tors. eta vs tors. theta energy: -86.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1112.055437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.055437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.055437 (E_RNA) where: Base-Base interactions energy: -732.020 where: short stacking energy: -312.456 Base-Backbone interact. energy: -2.082 local terms energy: -377.953855 where: bonds (distance) C4'-P energy: -75.282 bonds (distance) P-C4' energy: -89.392 flat angles C4'-P-C4' energy: -77.379 flat angles P-C4'-P energy: -70.002 tors. eta vs tors. theta energy: -65.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1059.414454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.414454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.414454 (E_RNA) where: Base-Base interactions energy: -695.925 where: short stacking energy: -294.606 Base-Backbone interact. energy: -1.232 local terms energy: -362.257838 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -73.835 flat angles C4'-P-C4' energy: -91.520 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -67.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -685.308573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.308573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.308573 (E_RNA) where: Base-Base interactions energy: -391.878 where: short stacking energy: -209.085 Base-Backbone interact. energy: -1.019 local terms energy: -292.411737 where: bonds (distance) C4'-P energy: -83.622 bonds (distance) P-C4' energy: -70.399 flat angles C4'-P-C4' energy: -51.916 flat angles P-C4'-P energy: -53.791 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: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -578.357256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.357256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.357256 (E_RNA) where: Base-Base interactions energy: -321.097 where: short stacking energy: -180.404 Base-Backbone interact. energy: 3.870 local terms energy: -261.130149 where: bonds (distance) C4'-P energy: -72.924 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -35.505 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1692.598475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.598475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.598475 (E_RNA) where: Base-Base interactions energy: -1199.317 where: short stacking energy: -497.288 Base-Backbone interact. energy: -2.105 local terms energy: -491.175902 where: bonds (distance) C4'-P energy: -96.792 bonds (distance) P-C4' energy: -86.191 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -130.296 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: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1670.800085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.800085 (E_RNA) where: Base-Base interactions energy: -1204.691 where: short stacking energy: -461.027 Base-Backbone interact. energy: -0.427 local terms energy: -465.681837 where: bonds (distance) C4'-P energy: -97.519 bonds (distance) P-C4' energy: -91.130 flat angles C4'-P-C4' energy: -103.610 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -110.069 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: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1628.929547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.929547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.929547 (E_RNA) where: Base-Base interactions energy: -1115.471 where: short stacking energy: -484.760 Base-Backbone interact. energy: 0.483 local terms energy: -513.941297 where: bonds (distance) C4'-P energy: -82.495 bonds (distance) P-C4' energy: -98.970 flat angles C4'-P-C4' energy: -106.227 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -149.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1474.676782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.676782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.676782 (E_RNA) where: Base-Base interactions energy: -1040.834 where: short stacking energy: -430.754 Base-Backbone interact. energy: -3.412 local terms energy: -430.430773 where: bonds (distance) C4'-P energy: -86.674 bonds (distance) P-C4' energy: -94.127 flat angles C4'-P-C4' energy: -80.593 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -116.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1463.176603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.176603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.176603 (E_RNA) where: Base-Base interactions energy: -1030.590 where: short stacking energy: -416.848 Base-Backbone interact. energy: -1.674 local terms energy: -430.912152 where: bonds (distance) C4'-P energy: -91.848 bonds (distance) P-C4' energy: -72.747 flat angles C4'-P-C4' energy: -92.887 flat angles P-C4'-P energy: -61.908 tors. eta vs tors. theta energy: -111.522 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: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1251.836294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.836294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.836294 (E_RNA) where: Base-Base interactions energy: -872.773 where: short stacking energy: -365.262 Base-Backbone interact. energy: -1.858 local terms energy: -377.205547 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -79.597 flat angles P-C4'-P energy: -56.284 tors. eta vs tors. theta energy: -78.521 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: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1146.343565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.343565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.343565 (E_RNA) where: Base-Base interactions energy: -758.481 where: short stacking energy: -321.815 Base-Backbone interact. energy: -2.812 local terms energy: -385.050621 where: bonds (distance) C4'-P energy: -85.213 bonds (distance) P-C4' energy: -83.884 flat angles C4'-P-C4' energy: -84.085 flat angles P-C4'-P energy: -63.861 tors. eta vs tors. theta energy: -68.007 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: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1085.173670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.173670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.173670 (E_RNA) where: Base-Base interactions energy: -738.610 where: short stacking energy: -322.510 Base-Backbone interact. energy: -3.288 local terms energy: -343.275070 where: bonds (distance) C4'-P energy: -56.846 bonds (distance) P-C4' energy: -77.617 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -63.558 tors. eta vs tors. theta energy: -69.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -703.760826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.760826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.760826 (E_RNA) where: Base-Base interactions energy: -408.731 where: short stacking energy: -210.791 Base-Backbone interact. energy: 4.040 local terms energy: -299.069321 where: bonds (distance) C4'-P energy: -75.640 bonds (distance) P-C4' energy: -95.456 flat angles C4'-P-C4' energy: -71.321 flat angles P-C4'-P energy: -37.768 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -625.037620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.037620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.037620 (E_RNA) where: Base-Base interactions energy: -360.598 where: short stacking energy: -196.027 Base-Backbone interact. energy: 2.701 local terms energy: -267.140494 where: bonds (distance) C4'-P energy: -67.993 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -29.261 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1698.502868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.502868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.502868 (E_RNA) where: Base-Base interactions energy: -1194.141 where: short stacking energy: -496.114 Base-Backbone interact. energy: -4.523 local terms energy: -499.838077 where: bonds (distance) C4'-P energy: -93.813 bonds (distance) P-C4' energy: -93.546 flat angles C4'-P-C4' energy: -112.469 flat angles P-C4'-P energy: -69.141 tors. eta vs tors. theta energy: -130.870 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: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1649.088694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.088694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.088694 (E_RNA) where: Base-Base interactions energy: -1179.382 where: short stacking energy: -453.449 Base-Backbone interact. energy: -1.859 local terms energy: -467.847726 where: bonds (distance) C4'-P energy: -93.727 bonds (distance) P-C4' energy: -95.886 flat angles C4'-P-C4' energy: -101.126 flat angles P-C4'-P energy: -65.154 tors. eta vs tors. theta energy: -111.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1603.625015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.625015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.625015 (E_RNA) where: Base-Base interactions energy: -1121.834 where: short stacking energy: -473.526 Base-Backbone interact. energy: -5.912 local terms energy: -475.878535 where: bonds (distance) C4'-P energy: -91.706 bonds (distance) P-C4' energy: -86.572 flat angles C4'-P-C4' energy: -98.823 flat angles P-C4'-P energy: -71.734 tors. eta vs tors. theta energy: -127.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1497.770888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.770888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.770888 (E_RNA) where: Base-Base interactions energy: -1021.742 where: short stacking energy: -436.604 Base-Backbone interact. energy: -1.730 local terms energy: -474.299217 where: bonds (distance) C4'-P energy: -87.039 bonds (distance) P-C4' energy: -94.746 flat angles C4'-P-C4' energy: -97.706 flat angles P-C4'-P energy: -71.005 tors. eta vs tors. theta energy: -123.803 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: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1456.617126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.617126 (E_RNA) where: Base-Base interactions energy: -1026.377 where: short stacking energy: -444.304 Base-Backbone interact. energy: -0.636 local terms energy: -429.603781 where: bonds (distance) C4'-P energy: -87.433 bonds (distance) P-C4' energy: -73.751 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -120.706 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: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1305.708021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.708021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.708021 (E_RNA) where: Base-Base interactions energy: -899.986 where: short stacking energy: -400.322 Base-Backbone interact. energy: 0.660 local terms energy: -406.381762 where: bonds (distance) C4'-P energy: -85.770 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -92.207 flat angles P-C4'-P energy: -45.820 tors. eta vs tors. theta energy: -105.212 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: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1140.596192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.596192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.596192 (E_RNA) where: Base-Base interactions energy: -767.609 where: short stacking energy: -307.058 Base-Backbone interact. energy: -1.233 local terms energy: -371.754213 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -78.972 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: -72.213 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: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -991.138770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.138770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.138770 (E_RNA) where: Base-Base interactions energy: -646.557 where: short stacking energy: -310.484 Base-Backbone interact. energy: 1.982 local terms energy: -346.563895 where: bonds (distance) C4'-P energy: -65.127 bonds (distance) P-C4' energy: -85.965 flat angles C4'-P-C4' energy: -85.108 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -57.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -696.017635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.017635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.017635 (E_RNA) where: Base-Base interactions energy: -393.135 where: short stacking energy: -202.576 Base-Backbone interact. energy: 1.716 local terms energy: -304.598113 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -94.910 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -19.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -630.280069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.280069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.280069 (E_RNA) where: Base-Base interactions energy: -336.128 where: short stacking energy: -182.239 Base-Backbone interact. energy: -0.100 local terms energy: -294.052048 where: bonds (distance) C4'-P energy: -76.805 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -61.618 flat angles P-C4'-P energy: -59.480 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: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1693.218128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.218128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.218128 (E_RNA) where: Base-Base interactions energy: -1181.849 where: short stacking energy: -479.454 Base-Backbone interact. energy: -5.009 local terms energy: -506.360338 where: bonds (distance) C4'-P energy: -92.604 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -131.552 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1644.828763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.828763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.828763 (E_RNA) where: Base-Base interactions energy: -1189.350 where: short stacking energy: -437.042 Base-Backbone interact. energy: -2.423 local terms energy: -453.056211 where: bonds (distance) C4'-P energy: -85.155 bonds (distance) P-C4' energy: -100.084 flat angles C4'-P-C4' energy: -98.022 flat angles P-C4'-P energy: -67.444 tors. eta vs tors. theta energy: -102.350 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: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1602.507065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.507065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.507065 (E_RNA) where: Base-Base interactions energy: -1128.634 where: short stacking energy: -475.006 Base-Backbone interact. energy: -2.609 local terms energy: -471.264546 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -86.272 flat angles C4'-P-C4' energy: -103.423 flat angles P-C4'-P energy: -57.393 tors. eta vs tors. theta energy: -134.082 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1530.888481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.888481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.888481 (E_RNA) where: Base-Base interactions energy: -1075.473 where: short stacking energy: -441.555 Base-Backbone interact. energy: -0.097 local terms energy: -455.318513 where: bonds (distance) C4'-P energy: -71.761 bonds (distance) P-C4' energy: -96.932 flat angles C4'-P-C4' energy: -105.215 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -119.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1445.566141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.566141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.566141 (E_RNA) where: Base-Base interactions energy: -985.615 where: short stacking energy: -433.597 Base-Backbone interact. energy: -1.538 local terms energy: -458.413150 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -80.973 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -69.926 tors. eta vs tors. theta energy: -127.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1268.896706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.896706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.896706 (E_RNA) where: Base-Base interactions energy: -854.118 where: short stacking energy: -364.727 Base-Backbone interact. energy: 3.043 local terms energy: -417.821508 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -98.640 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -85.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1105.243967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.243967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.243967 (E_RNA) where: Base-Base interactions energy: -719.675 where: short stacking energy: -316.595 Base-Backbone interact. energy: -0.863 local terms energy: -384.705896 where: bonds (distance) C4'-P energy: -80.618 bonds (distance) P-C4' energy: -84.578 flat angles C4'-P-C4' energy: -81.302 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -78.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1005.378554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.378554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.378554 (E_RNA) where: Base-Base interactions energy: -639.088 where: short stacking energy: -294.514 Base-Backbone interact. energy: -1.228 local terms energy: -365.062536 where: bonds (distance) C4'-P energy: -74.726 bonds (distance) P-C4' energy: -85.867 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -64.081 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: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -680.601933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.601933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.601933 (E_RNA) where: Base-Base interactions energy: -380.187 where: short stacking energy: -175.448 Base-Backbone interact. energy: 3.588 local terms energy: -304.003585 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -90.390 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -57.228 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: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -607.387721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.387721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.387721 (E_RNA) where: Base-Base interactions energy: -345.485 where: short stacking energy: -191.584 Base-Backbone interact. energy: -0.057 local terms energy: -261.846075 where: bonds (distance) C4'-P energy: -68.508 bonds (distance) P-C4' energy: -84.105 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -26.245 tors. eta vs tors. theta energy: -12.105 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: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1686.880730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.880730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.880730 (E_RNA) where: Base-Base interactions energy: -1186.446 where: short stacking energy: -499.062 Base-Backbone interact. energy: -2.921 local terms energy: -497.514487 where: bonds (distance) C4'-P energy: -92.906 bonds (distance) P-C4' energy: -87.688 flat angles C4'-P-C4' energy: -111.508 flat angles P-C4'-P energy: -73.542 tors. eta vs tors. theta energy: -131.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1658.216647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.216647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.216647 (E_RNA) where: Base-Base interactions energy: -1185.373 where: short stacking energy: -450.916 Base-Backbone interact. energy: -3.917 local terms energy: -468.926249 where: bonds (distance) C4'-P energy: -95.899 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -100.928 flat angles P-C4'-P energy: -75.785 tors. eta vs tors. theta energy: -103.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1608.913174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.913174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.913174 (E_RNA) where: Base-Base interactions energy: -1130.659 where: short stacking energy: -473.460 Base-Backbone interact. energy: -1.742 local terms energy: -476.512124 where: bonds (distance) C4'-P energy: -87.883 bonds (distance) P-C4' energy: -82.963 flat angles C4'-P-C4' energy: -105.009 flat angles P-C4'-P energy: -66.195 tors. eta vs tors. theta energy: -134.463 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: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1539.965217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.965217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.965217 (E_RNA) where: Base-Base interactions energy: -1083.711 where: short stacking energy: -454.339 Base-Backbone interact. energy: 3.322 local terms energy: -459.575464 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -90.715 flat angles C4'-P-C4' energy: -86.362 flat angles P-C4'-P energy: -56.274 tors. eta vs tors. theta energy: -135.327 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1459.396913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.396913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.396913 (E_RNA) where: Base-Base interactions energy: -1014.838 where: short stacking energy: -434.620 Base-Backbone interact. energy: -1.309 local terms energy: -443.249387 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -102.657 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -123.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1316.194566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.194566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.194566 (E_RNA) where: Base-Base interactions energy: -877.466 where: short stacking energy: -375.843 Base-Backbone interact. energy: -1.817 local terms energy: -436.911925 where: bonds (distance) C4'-P energy: -96.642 bonds (distance) P-C4' energy: -80.172 flat angles C4'-P-C4' energy: -101.342 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -96.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1097.572287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.572287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.572287 (E_RNA) where: Base-Base interactions energy: -714.805 where: short stacking energy: -321.788 Base-Backbone interact. energy: -0.317 local terms energy: -382.449849 where: bonds (distance) C4'-P energy: -79.472 bonds (distance) P-C4' energy: -90.671 flat angles C4'-P-C4' energy: -87.590 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -77.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1041.887497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.887497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.887497 (E_RNA) where: Base-Base interactions energy: -666.021 where: short stacking energy: -314.087 Base-Backbone interact. energy: -2.186 local terms energy: -373.680811 where: bonds (distance) C4'-P energy: -85.227 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -87.486 flat angles P-C4'-P energy: -49.615 tors. eta vs tors. theta energy: -63.795 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: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -713.738513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.738513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.738513 (E_RNA) where: Base-Base interactions energy: -393.545 where: short stacking energy: -208.853 Base-Backbone interact. energy: -1.873 local terms energy: -318.319685 where: bonds (distance) C4'-P energy: -94.181 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: -14.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -640.834842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.834842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.834842 (E_RNA) where: Base-Base interactions energy: -361.634 where: short stacking energy: -193.482 Base-Backbone interact. energy: -1.404 local terms energy: -277.797099 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -76.279 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -15.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1688.332983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.332983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.332983 (E_RNA) where: Base-Base interactions energy: -1181.967 where: short stacking energy: -486.112 Base-Backbone interact. energy: -1.672 local terms energy: -504.694010 where: bonds (distance) C4'-P energy: -108.945 bonds (distance) P-C4' energy: -75.384 flat angles C4'-P-C4' energy: -104.854 flat angles P-C4'-P energy: -78.840 tors. eta vs tors. theta energy: -136.670 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1649.965087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.965087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.965087 (E_RNA) where: Base-Base interactions energy: -1181.889 where: short stacking energy: -440.582 Base-Backbone interact. energy: -2.499 local terms energy: -465.576610 where: bonds (distance) C4'-P energy: -82.740 bonds (distance) P-C4' energy: -95.082 flat angles C4'-P-C4' energy: -103.513 flat angles P-C4'-P energy: -71.612 tors. eta vs tors. theta energy: -112.630 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: 291 Temperature: 1.000000 Total energy: -1626.350395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.350395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.350395 (E_RNA) where: Base-Base interactions energy: -1145.297 where: short stacking energy: -490.503 Base-Backbone interact. energy: -2.386 local terms energy: -478.667257 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -93.404 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -61.510 tors. eta vs tors. theta energy: -130.134 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1581.136414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.136414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.136414 (E_RNA) where: Base-Base interactions energy: -1076.567 where: short stacking energy: -470.850 Base-Backbone interact. energy: 0.809 local terms energy: -505.378880 where: bonds (distance) C4'-P energy: -91.436 bonds (distance) P-C4' energy: -100.927 flat angles C4'-P-C4' energy: -107.135 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -134.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1478.082290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.082290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.082290 (E_RNA) where: Base-Base interactions energy: -1029.138 where: short stacking energy: -462.432 Base-Backbone interact. energy: -1.984 local terms energy: -446.960027 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -94.431 flat angles C4'-P-C4' energy: -95.630 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -117.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1293.923991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.923991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.923991 (E_RNA) where: Base-Base interactions energy: -875.091 where: short stacking energy: -381.111 Base-Backbone interact. energy: -2.346 local terms energy: -416.486908 where: bonds (distance) C4'-P energy: -74.466 bonds (distance) P-C4' energy: -94.568 flat angles C4'-P-C4' energy: -94.970 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -92.811 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: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1186.797276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.797276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.797276 (E_RNA) where: Base-Base interactions energy: -800.726 where: short stacking energy: -349.921 Base-Backbone interact. energy: -0.492 local terms energy: -385.579392 where: bonds (distance) C4'-P energy: -80.158 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -86.122 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -72.218 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: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1050.347199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.347199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.347199 (E_RNA) where: Base-Base interactions energy: -711.314 where: short stacking energy: -313.969 Base-Backbone interact. energy: -3.470 local terms energy: -335.563655 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -70.666 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: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -670.713297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.713297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.713297 (E_RNA) where: Base-Base interactions energy: -384.644 where: short stacking energy: -181.785 Base-Backbone interact. energy: 1.197 local terms energy: -287.266625 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -85.155 flat angles C4'-P-C4' energy: -81.958 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -580.810219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.810219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.810219 (E_RNA) where: Base-Base interactions energy: -334.770 where: short stacking energy: -186.206 Base-Backbone interact. energy: 13.031 local terms energy: -259.071660 where: bonds (distance) C4'-P energy: -74.408 bonds (distance) P-C4' energy: -76.346 flat angles C4'-P-C4' energy: -65.989 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -5.327 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: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1689.618420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.618420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.618420 (E_RNA) where: Base-Base interactions energy: -1188.203 where: short stacking energy: -507.233 Base-Backbone interact. energy: -1.886 local terms energy: -499.529184 where: bonds (distance) C4'-P energy: -97.381 bonds (distance) P-C4' energy: -95.050 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -69.210 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: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1651.514689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.514689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.514689 (E_RNA) where: Base-Base interactions energy: -1187.845 where: short stacking energy: -441.515 Base-Backbone interact. energy: -3.234 local terms energy: -460.435220 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -87.502 flat angles C4'-P-C4' energy: -104.774 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -103.798 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: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1602.373020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.373020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.373020 (E_RNA) where: Base-Base interactions energy: -1127.958 where: short stacking energy: -489.670 Base-Backbone interact. energy: 0.697 local terms energy: -475.112846 where: bonds (distance) C4'-P energy: -72.575 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -99.945 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: -137.144 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: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1562.858087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.858087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.858087 (E_RNA) where: Base-Base interactions energy: -1092.285 where: short stacking energy: -461.401 Base-Backbone interact. energy: -2.413 local terms energy: -468.160354 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -76.703 flat angles C4'-P-C4' energy: -108.899 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -128.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1510.375531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.375531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.375531 (E_RNA) where: Base-Base interactions energy: -1039.692 where: short stacking energy: -444.249 Base-Backbone interact. energy: -1.877 local terms energy: -468.806465 where: bonds (distance) C4'-P energy: -97.575 bonds (distance) P-C4' energy: -90.100 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -125.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1301.352939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.352939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.352939 (E_RNA) where: Base-Base interactions energy: -901.939 where: short stacking energy: -391.651 Base-Backbone interact. energy: -0.470 local terms energy: -398.944465 where: bonds (distance) C4'-P energy: -83.814 bonds (distance) P-C4' energy: -77.360 flat angles C4'-P-C4' energy: -83.556 flat angles P-C4'-P energy: -53.110 tors. eta vs tors. theta energy: -101.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1254.548508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.548508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.548508 (E_RNA) where: Base-Base interactions energy: -871.576 where: short stacking energy: -393.802 Base-Backbone interact. energy: -2.158 local terms energy: -380.814940 where: bonds (distance) C4'-P energy: -62.353 bonds (distance) P-C4' energy: -90.105 flat angles C4'-P-C4' energy: -86.394 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -92.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1026.721420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.721420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.721420 (E_RNA) where: Base-Base interactions energy: -677.000 where: short stacking energy: -272.525 Base-Backbone interact. energy: 0.310 local terms energy: -350.031246 where: bonds (distance) C4'-P energy: -84.773 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -74.583 flat angles P-C4'-P energy: -55.574 tors. eta vs tors. theta energy: -52.836 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: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -710.380314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.380314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.380314 (E_RNA) where: Base-Base interactions energy: -415.501 where: short stacking energy: -222.166 Base-Backbone interact. energy: -1.587 local terms energy: -293.291575 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -86.544 flat angles C4'-P-C4' energy: -68.937 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -24.209 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: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -633.806382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.806382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.806382 (E_RNA) where: Base-Base interactions energy: -353.343 where: short stacking energy: -179.641 Base-Backbone interact. energy: -1.602 local terms energy: -278.861458 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -66.388 flat angles C4'-P-C4' energy: -90.397 flat angles P-C4'-P energy: -41.402 tors. eta vs tors. theta energy: -15.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1693.821940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.821940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.821940 (E_RNA) where: Base-Base interactions energy: -1203.810 where: short stacking energy: -502.715 Base-Backbone interact. energy: -2.580 local terms energy: -487.432535 where: bonds (distance) C4'-P energy: -95.100 bonds (distance) P-C4' energy: -90.674 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -126.670 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: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1676.390215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.390215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.390215 (E_RNA) where: Base-Base interactions energy: -1205.563 where: short stacking energy: -468.162 Base-Backbone interact. energy: -1.398 local terms energy: -469.428979 where: bonds (distance) C4'-P energy: -88.110 bonds (distance) P-C4' energy: -95.800 flat angles C4'-P-C4' energy: -102.870 flat angles P-C4'-P energy: -66.711 tors. eta vs tors. theta energy: -115.938 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: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1615.260647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.260647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.260647 (E_RNA) where: Base-Base interactions energy: -1119.145 where: short stacking energy: -481.280 Base-Backbone interact. energy: -2.731 local terms energy: -493.384265 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -99.179 flat angles C4'-P-C4' energy: -99.679 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -136.882 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: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1540.173894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.173894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.173894 (E_RNA) where: Base-Base interactions energy: -1083.834 where: short stacking energy: -456.636 Base-Backbone interact. energy: -2.600 local terms energy: -453.740096 where: bonds (distance) C4'-P energy: -82.231 bonds (distance) P-C4' energy: -89.397 flat angles C4'-P-C4' energy: -97.438 flat angles P-C4'-P energy: -61.207 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: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1462.886667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.886667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.886667 (E_RNA) where: Base-Base interactions energy: -1018.611 where: short stacking energy: -433.102 Base-Backbone interact. energy: 0.250 local terms energy: -444.525542 where: bonds (distance) C4'-P energy: -93.760 bonds (distance) P-C4' energy: -70.987 flat angles C4'-P-C4' energy: -93.700 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -118.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1294.030025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.030025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.030025 (E_RNA) where: Base-Base interactions energy: -860.221 where: short stacking energy: -367.215 Base-Backbone interact. energy: -2.506 local terms energy: -431.303133 where: bonds (distance) C4'-P energy: -76.840 bonds (distance) P-C4' energy: -92.311 flat angles C4'-P-C4' energy: -100.933 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -95.491 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: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1247.624501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.624501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.624501 (E_RNA) where: Base-Base interactions energy: -845.945 where: short stacking energy: -348.093 Base-Backbone interact. energy: -0.206 local terms energy: -401.472855 where: bonds (distance) C4'-P energy: -81.239 bonds (distance) P-C4' energy: -94.550 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -49.774 tors. eta vs tors. theta energy: -82.092 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: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1067.567350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.567350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.567350 (E_RNA) where: Base-Base interactions energy: -719.997 where: short stacking energy: -301.291 Base-Backbone interact. energy: -0.214 local terms energy: -347.356187 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -79.160 flat angles C4'-P-C4' energy: -83.240 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: -45.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -693.012807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.012807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.012807 (E_RNA) where: Base-Base interactions energy: -395.650 where: short stacking energy: -202.624 Base-Backbone interact. energy: -1.201 local terms energy: -296.161891 where: bonds (distance) C4'-P energy: -65.816 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -89.661 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: -28.951 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: 293 Temperature: 1.350000 Total energy: -645.996563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.996563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.996563 (E_RNA) where: Base-Base interactions energy: -375.140 where: short stacking energy: -183.289 Base-Backbone interact. energy: -2.210 local terms energy: -268.646790 where: bonds (distance) C4'-P energy: -71.160 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -64.291 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1712.815378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.815378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.815378 (E_RNA) where: Base-Base interactions energy: -1239.012 where: short stacking energy: -468.346 Base-Backbone interact. energy: 0.562 local terms energy: -474.365822 where: bonds (distance) C4'-P energy: -79.817 bonds (distance) P-C4' energy: -100.598 flat angles C4'-P-C4' energy: -108.317 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -122.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1669.742830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.742830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.742830 (E_RNA) where: Base-Base interactions energy: -1159.774 where: short stacking energy: -474.640 Base-Backbone interact. energy: -3.511 local terms energy: -506.457344 where: bonds (distance) C4'-P energy: -94.217 bonds (distance) P-C4' energy: -100.723 flat angles C4'-P-C4' energy: -102.308 flat angles P-C4'-P energy: -79.776 tors. eta vs tors. theta energy: -129.433 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: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1602.877927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.877927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.877927 (E_RNA) where: Base-Base interactions energy: -1130.484 where: short stacking energy: -487.307 Base-Backbone interact. energy: 1.780 local terms energy: -474.173142 where: bonds (distance) C4'-P energy: -75.942 bonds (distance) P-C4' energy: -93.345 flat angles C4'-P-C4' energy: -102.067 flat angles P-C4'-P energy: -67.776 tors. eta vs tors. theta energy: -135.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1508.662310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.662310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.662310 (E_RNA) where: Base-Base interactions energy: -1038.745 where: short stacking energy: -435.326 Base-Backbone interact. energy: -1.914 local terms energy: -468.003754 where: bonds (distance) C4'-P energy: -87.976 bonds (distance) P-C4' energy: -96.624 flat angles C4'-P-C4' energy: -92.803 flat angles P-C4'-P energy: -70.079 tors. eta vs tors. theta energy: -120.522 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: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1487.482416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.482416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.482416 (E_RNA) where: Base-Base interactions energy: -1049.528 where: short stacking energy: -434.001 Base-Backbone interact. energy: -1.130 local terms energy: -436.823761 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -78.872 flat angles C4'-P-C4' energy: -83.341 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -132.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1282.328432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.328432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.328432 (E_RNA) where: Base-Base interactions energy: -894.841 where: short stacking energy: -379.894 Base-Backbone interact. energy: -2.512 local terms energy: -384.975912 where: bonds (distance) C4'-P energy: -68.862 bonds (distance) P-C4' energy: -77.296 flat angles C4'-P-C4' energy: -90.697 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -93.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1187.736751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.736751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.736751 (E_RNA) where: Base-Base interactions energy: -792.387 where: short stacking energy: -337.731 Base-Backbone interact. energy: 0.603 local terms energy: -395.952541 where: bonds (distance) C4'-P energy: -82.946 bonds (distance) P-C4' energy: -83.155 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -75.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1009.963744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.963744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.963744 (E_RNA) where: Base-Base interactions energy: -655.489 where: short stacking energy: -287.600 Base-Backbone interact. energy: 0.085 local terms energy: -354.560185 where: bonds (distance) C4'-P energy: -76.204 bonds (distance) P-C4' energy: -83.380 flat angles C4'-P-C4' energy: -81.584 flat angles P-C4'-P energy: -57.809 tors. eta vs tors. theta energy: -55.583 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: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -773.961325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.961325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.961325 (E_RNA) where: Base-Base interactions energy: -457.201 where: short stacking energy: -206.174 Base-Backbone interact. energy: -1.309 local terms energy: -315.451486 where: bonds (distance) C4'-P energy: -76.883 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -72.987 flat angles P-C4'-P energy: -53.087 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: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -707.697533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.697533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.697533 (E_RNA) where: Base-Base interactions energy: -414.078 where: short stacking energy: -188.437 Base-Backbone interact. energy: -2.849 local terms energy: -290.771000 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -81.623 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -36.171 tors. eta vs tors. theta energy: -36.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1726.894051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.894051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.894051 (E_RNA) where: Base-Base interactions energy: -1231.664 where: short stacking energy: -484.935 Base-Backbone interact. energy: -3.690 local terms energy: -491.539457 where: bonds (distance) C4'-P energy: -92.133 bonds (distance) P-C4' energy: -102.305 flat angles C4'-P-C4' energy: -105.720 flat angles P-C4'-P energy: -73.853 tors. eta vs tors. theta energy: -117.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1640.782815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.782815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.782815 (E_RNA) where: Base-Base interactions energy: -1158.334 where: short stacking energy: -482.053 Base-Backbone interact. energy: -3.365 local terms energy: -479.083956 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -99.728 flat angles C4'-P-C4' energy: -106.138 flat angles P-C4'-P energy: -66.828 tors. eta vs tors. theta energy: -134.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1610.980366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.980366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.980366 (E_RNA) where: Base-Base interactions energy: -1128.079 where: short stacking energy: -464.731 Base-Backbone interact. energy: 3.901 local terms energy: -486.802318 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -87.954 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -126.135 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: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1543.842758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.842758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.842758 (E_RNA) where: Base-Base interactions energy: -1078.062 where: short stacking energy: -475.720 Base-Backbone interact. energy: -0.843 local terms energy: -464.937467 where: bonds (distance) C4'-P energy: -91.380 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -101.108 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -132.726 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: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1536.158831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.158831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.158831 (E_RNA) where: Base-Base interactions energy: -1070.869 where: short stacking energy: -458.442 Base-Backbone interact. energy: -1.412 local terms energy: -463.877612 where: bonds (distance) C4'-P energy: -81.210 bonds (distance) P-C4' energy: -92.486 flat angles C4'-P-C4' energy: -96.684 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -132.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1320.164333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.164333 (E_RNA) where: Base-Base interactions energy: -919.449 where: short stacking energy: -405.821 Base-Backbone interact. energy: -3.696 local terms energy: -397.019616 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -85.822 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -100.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1185.164404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.164404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.164404 (E_RNA) where: Base-Base interactions energy: -788.260 where: short stacking energy: -358.897 Base-Backbone interact. energy: -1.266 local terms energy: -395.639095 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -83.542 flat angles C4'-P-C4' energy: -94.801 flat angles P-C4'-P energy: -53.481 tors. eta vs tors. theta energy: -87.532 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: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1049.917089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.917089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.917089 (E_RNA) where: Base-Base interactions energy: -692.455 where: short stacking energy: -322.409 Base-Backbone interact. energy: 1.874 local terms energy: -359.336306 where: bonds (distance) C4'-P energy: -81.156 bonds (distance) P-C4' energy: -79.285 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -54.813 tors. eta vs tors. theta energy: -57.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -760.500399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.500399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.500399 (E_RNA) where: Base-Base interactions energy: -447.466 where: short stacking energy: -250.304 Base-Backbone interact. energy: -0.479 local terms energy: -312.555485 where: bonds (distance) C4'-P energy: -72.076 bonds (distance) P-C4' energy: -79.210 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -38.944 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: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -641.610941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.610941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.610941 (E_RNA) where: Base-Base interactions energy: -354.175 where: short stacking energy: -190.429 Base-Backbone interact. energy: 0.352 local terms energy: -287.788112 where: bonds (distance) C4'-P energy: -79.683 bonds (distance) P-C4' energy: -88.752 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -45.011 tors. eta vs tors. theta energy: -11.950 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: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1719.408940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.408940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.408940 (E_RNA) where: Base-Base interactions energy: -1234.125 where: short stacking energy: -476.544 Base-Backbone interact. energy: -2.474 local terms energy: -482.809488 where: bonds (distance) C4'-P energy: -95.034 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -102.975 flat angles P-C4'-P energy: -77.139 tors. eta vs tors. theta energy: -120.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1649.557175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.557175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.557175 (E_RNA) where: Base-Base interactions energy: -1153.628 where: short stacking energy: -487.486 Base-Backbone interact. energy: -2.650 local terms energy: -493.279997 where: bonds (distance) C4'-P energy: -89.582 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -102.156 flat angles P-C4'-P energy: -69.231 tors. eta vs tors. theta energy: -142.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1607.399871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.399871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.399871 (E_RNA) where: Base-Base interactions energy: -1136.708 where: short stacking energy: -466.387 Base-Backbone interact. energy: -1.797 local terms energy: -468.894144 where: bonds (distance) C4'-P energy: -73.815 bonds (distance) P-C4' energy: -94.177 flat angles C4'-P-C4' energy: -103.831 flat angles P-C4'-P energy: -75.490 tors. eta vs tors. theta energy: -121.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1524.042792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.042792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.042792 (E_RNA) where: Base-Base interactions energy: -1050.795 where: short stacking energy: -475.676 Base-Backbone interact. energy: -2.553 local terms energy: -470.694865 where: bonds (distance) C4'-P energy: -86.644 bonds (distance) P-C4' energy: -90.567 flat angles C4'-P-C4' energy: -96.812 flat angles P-C4'-P energy: -58.800 tors. eta vs tors. theta energy: -137.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1509.490961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.490961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.490961 (E_RNA) where: Base-Base interactions energy: -1056.078 where: short stacking energy: -463.484 Base-Backbone interact. energy: -3.231 local terms energy: -450.181808 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -89.536 flat angles C4'-P-C4' energy: -96.621 flat angles P-C4'-P energy: -56.949 tors. eta vs tors. theta energy: -126.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1311.625123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.625123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.625123 (E_RNA) where: Base-Base interactions energy: -901.626 where: short stacking energy: -380.044 Base-Backbone interact. energy: -2.557 local terms energy: -407.442553 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -102.740 flat angles C4'-P-C4' energy: -84.937 flat angles P-C4'-P energy: -51.044 tors. eta vs tors. theta energy: -91.289 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: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1189.675578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.675578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.675578 (E_RNA) where: Base-Base interactions energy: -793.578 where: short stacking energy: -323.477 Base-Backbone interact. energy: -2.652 local terms energy: -393.445633 where: bonds (distance) C4'-P energy: -76.461 bonds (distance) P-C4' energy: -89.861 flat angles C4'-P-C4' energy: -94.086 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -65.890 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: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1083.464637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.464637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.464637 (E_RNA) where: Base-Base interactions energy: -740.825 where: short stacking energy: -334.766 Base-Backbone interact. energy: -0.857 local terms energy: -341.782654 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -71.675 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: -64.648 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: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -738.700780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.700780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.700780 (E_RNA) where: Base-Base interactions energy: -426.317 where: short stacking energy: -212.964 Base-Backbone interact. energy: 3.138 local terms energy: -315.521732 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -78.609 flat angles C4'-P-C4' energy: -84.016 flat angles P-C4'-P energy: -53.138 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -586.531654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.531654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.531654 (E_RNA) where: Base-Base interactions energy: -344.924 where: short stacking energy: -180.733 Base-Backbone interact. energy: -2.610 local terms energy: -238.998144 where: bonds (distance) C4'-P energy: -73.923 bonds (distance) P-C4' energy: -43.561 flat angles C4'-P-C4' energy: -70.642 flat angles P-C4'-P energy: -37.975 tors. eta vs tors. theta energy: -12.898 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: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1713.462094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.462094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.462094 (E_RNA) where: Base-Base interactions energy: -1207.205 where: short stacking energy: -478.709 Base-Backbone interact. energy: -2.824 local terms energy: -503.432762 where: bonds (distance) C4'-P energy: -87.569 bonds (distance) P-C4' energy: -103.901 flat angles C4'-P-C4' energy: -113.904 flat angles P-C4'-P energy: -73.362 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: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1669.127491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.127491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.127491 (E_RNA) where: Base-Base interactions energy: -1159.152 where: short stacking energy: -509.957 Base-Backbone interact. energy: 2.529 local terms energy: -512.504105 where: bonds (distance) C4'-P energy: -102.287 bonds (distance) P-C4' energy: -98.746 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: -141.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1597.952668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.952668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.952668 (E_RNA) where: Base-Base interactions energy: -1127.731 where: short stacking energy: -455.100 Base-Backbone interact. energy: -2.581 local terms energy: -467.640329 where: bonds (distance) C4'-P energy: -84.953 bonds (distance) P-C4' energy: -92.659 flat angles C4'-P-C4' energy: -106.478 flat angles P-C4'-P energy: -62.169 tors. eta vs tors. theta energy: -121.382 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: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1537.955480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.955480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.955480 (E_RNA) where: Base-Base interactions energy: -1063.915 where: short stacking energy: -452.636 Base-Backbone interact. energy: -1.277 local terms energy: -472.763770 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -105.316 flat angles P-C4'-P energy: -68.444 tors. eta vs tors. theta energy: -122.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1436.330862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.330862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.330862 (E_RNA) where: Base-Base interactions energy: -1002.609 where: short stacking energy: -429.742 Base-Backbone interact. energy: -0.679 local terms energy: -433.042529 where: bonds (distance) C4'-P energy: -85.894 bonds (distance) P-C4' energy: -86.604 flat angles C4'-P-C4' energy: -93.959 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -106.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1255.554770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.554770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.554770 (E_RNA) where: Base-Base interactions energy: -871.296 where: short stacking energy: -368.827 Base-Backbone interact. energy: -3.123 local terms energy: -381.136003 where: bonds (distance) C4'-P energy: -85.414 bonds (distance) P-C4' energy: -77.611 flat angles C4'-P-C4' energy: -88.571 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -87.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1233.011513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.011513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.011513 (E_RNA) where: Base-Base interactions energy: -841.109 where: short stacking energy: -351.460 Base-Backbone interact. energy: -1.935 local terms energy: -389.967036 where: bonds (distance) C4'-P energy: -77.186 bonds (distance) P-C4' energy: -82.624 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -84.723 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: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1063.686243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.686243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.686243 (E_RNA) where: Base-Base interactions energy: -723.486 where: short stacking energy: -327.486 Base-Backbone interact. energy: 0.706 local terms energy: -340.905412 where: bonds (distance) C4'-P energy: -81.664 bonds (distance) P-C4' energy: -78.158 flat angles C4'-P-C4' energy: -76.010 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: -58.588 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: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -733.159836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.159836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.159836 (E_RNA) where: Base-Base interactions energy: -421.566 where: short stacking energy: -214.363 Base-Backbone interact. energy: -2.029 local terms energy: -309.564599 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -86.014 flat angles C4'-P-C4' energy: -82.223 flat angles P-C4'-P energy: -50.230 tors. eta vs tors. theta energy: -20.905 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: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -590.274713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.274713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.274713 (E_RNA) where: Base-Base interactions energy: -288.453 where: short stacking energy: -154.689 Base-Backbone interact. energy: 0.114 local terms energy: -301.935801 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -77.784 flat angles C4'-P-C4' energy: -72.114 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1675.794444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.794444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.794444 (E_RNA) where: Base-Base interactions energy: -1174.168 where: short stacking energy: -493.424 Base-Backbone interact. energy: -0.526 local terms energy: -501.100084 where: bonds (distance) C4'-P energy: -87.804 bonds (distance) P-C4' energy: -94.596 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -76.790 tors. eta vs tors. theta energy: -137.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1675.263212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.263212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.263212 (E_RNA) where: Base-Base interactions energy: -1206.420 where: short stacking energy: -465.695 Base-Backbone interact. energy: -1.657 local terms energy: -467.186260 where: bonds (distance) C4'-P energy: -96.879 bonds (distance) P-C4' energy: -89.578 flat angles C4'-P-C4' energy: -106.499 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: -119.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1591.532645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.532645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.532645 (E_RNA) where: Base-Base interactions energy: -1117.120 where: short stacking energy: -450.187 Base-Backbone interact. energy: -2.059 local terms energy: -472.353863 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -98.964 flat angles C4'-P-C4' energy: -95.720 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -121.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1561.510113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.510113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.510113 (E_RNA) where: Base-Base interactions energy: -1097.437 where: short stacking energy: -438.387 Base-Backbone interact. energy: -2.115 local terms energy: -461.958256 where: bonds (distance) C4'-P energy: -69.327 bonds (distance) P-C4' energy: -100.031 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -119.035 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: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1427.683119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.683119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.683119 (E_RNA) where: Base-Base interactions energy: -991.491 where: short stacking energy: -415.209 Base-Backbone interact. energy: -1.911 local terms energy: -434.281216 where: bonds (distance) C4'-P energy: -75.915 bonds (distance) P-C4' energy: -74.534 flat angles C4'-P-C4' energy: -99.666 flat angles P-C4'-P energy: -68.307 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: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1254.341903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.341903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.341903 (E_RNA) where: Base-Base interactions energy: -854.075 where: short stacking energy: -365.730 Base-Backbone interact. energy: 3.737 local terms energy: -404.003914 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -56.003 tors. eta vs tors. theta energy: -93.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1173.410526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.410526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.410526 (E_RNA) where: Base-Base interactions energy: -789.673 where: short stacking energy: -349.634 Base-Backbone interact. energy: -1.399 local terms energy: -382.338243 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -73.389 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -55.289 tors. eta vs tors. theta energy: -72.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1108.297357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.297357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.297357 (E_RNA) where: Base-Base interactions energy: -713.765 where: short stacking energy: -311.919 Base-Backbone interact. energy: -2.112 local terms energy: -392.420116 where: bonds (distance) C4'-P energy: -80.893 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -67.442 tors. eta vs tors. theta energy: -65.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -779.503946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.503946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.503946 (E_RNA) where: Base-Base interactions energy: -466.070 where: short stacking energy: -232.855 Base-Backbone interact. energy: 1.391 local terms energy: -314.824471 where: bonds (distance) C4'-P energy: -70.826 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -87.629 flat angles P-C4'-P energy: -33.037 tors. eta vs tors. theta energy: -39.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -594.403765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.403765 (E_RNA) where: Base-Base interactions energy: -324.734 where: short stacking energy: -188.317 Base-Backbone interact. energy: 0.747 local terms energy: -270.416394 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -78.178 flat angles C4'-P-C4' energy: -73.187 flat angles P-C4'-P energy: -23.216 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1717.936126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.936126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.936126 (E_RNA) where: Base-Base interactions energy: -1187.701 where: short stacking energy: -516.227 Base-Backbone interact. energy: -1.423 local terms energy: -528.811322 where: bonds (distance) C4'-P energy: -95.433 bonds (distance) P-C4' energy: -96.968 flat angles C4'-P-C4' energy: -112.397 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -140.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1681.961116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.961116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.961116 (E_RNA) where: Base-Base interactions energy: -1215.011 where: short stacking energy: -485.554 Base-Backbone interact. energy: -1.410 local terms energy: -465.540342 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -123.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1632.426839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.426839 (E_RNA) where: Base-Base interactions energy: -1153.567 where: short stacking energy: -472.383 Base-Backbone interact. energy: -1.941 local terms energy: -476.918958 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -93.989 flat angles C4'-P-C4' energy: -101.440 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -122.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1540.019574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.019574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.019574 (E_RNA) where: Base-Base interactions energy: -1066.931 where: short stacking energy: -471.177 Base-Backbone interact. energy: -1.599 local terms energy: -471.488793 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -106.302 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -129.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1481.382902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.382902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.382902 (E_RNA) where: Base-Base interactions energy: -1001.757 where: short stacking energy: -443.696 Base-Backbone interact. energy: -2.424 local terms energy: -477.202318 where: bonds (distance) C4'-P energy: -90.965 bonds (distance) P-C4' energy: -83.725 flat angles C4'-P-C4' energy: -101.073 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -130.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1275.439853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.439853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.439853 (E_RNA) where: Base-Base interactions energy: -872.269 where: short stacking energy: -382.125 Base-Backbone interact. energy: -4.988 local terms energy: -398.182379 where: bonds (distance) C4'-P energy: -86.610 bonds (distance) P-C4' energy: -85.469 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -83.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1196.708081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.708081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.708081 (E_RNA) where: Base-Base interactions energy: -798.103 where: short stacking energy: -327.815 Base-Backbone interact. energy: -1.039 local terms energy: -397.565759 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -93.596 flat angles C4'-P-C4' energy: -99.846 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -66.277 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: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1100.841288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.841288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.841288 (E_RNA) where: Base-Base interactions energy: -732.138 where: short stacking energy: -330.775 Base-Backbone interact. energy: 5.401 local terms energy: -374.103944 where: bonds (distance) C4'-P energy: -71.405 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -88.647 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -80.484 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: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -759.235905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.235905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.235905 (E_RNA) where: Base-Base interactions energy: -442.100 where: short stacking energy: -219.926 Base-Backbone interact. energy: 2.691 local terms energy: -319.826559 where: bonds (distance) C4'-P energy: -80.058 bonds (distance) P-C4' energy: -82.965 flat angles C4'-P-C4' energy: -75.258 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: -23.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -606.536039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.536039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.536039 (E_RNA) where: Base-Base interactions energy: -329.576 where: short stacking energy: -185.575 Base-Backbone interact. energy: 1.552 local terms energy: -278.512813 where: bonds (distance) C4'-P energy: -76.337 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -33.443 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1700.562388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.562388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.562388 (E_RNA) where: Base-Base interactions energy: -1197.954 where: short stacking energy: -521.275 Base-Backbone interact. energy: -0.817 local terms energy: -501.791691 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -98.982 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -148.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1659.061441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.061441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.061441 (E_RNA) where: Base-Base interactions energy: -1191.543 where: short stacking energy: -479.041 Base-Backbone interact. energy: -3.287 local terms energy: -464.231711 where: bonds (distance) C4'-P energy: -88.195 bonds (distance) P-C4' energy: -89.666 flat angles C4'-P-C4' energy: -98.501 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -123.902 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: 300 Temperature: 1.000000 Total energy: -1613.407540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.407540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.407540 (E_RNA) where: Base-Base interactions energy: -1108.422 where: short stacking energy: -469.261 Base-Backbone interact. energy: -2.745 local terms energy: -502.241372 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -87.770 flat angles C4'-P-C4' energy: -110.268 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -135.789 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: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1572.428726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.428726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.428726 (E_RNA) where: Base-Base interactions energy: -1100.973 where: short stacking energy: -424.432 Base-Backbone interact. energy: -1.572 local terms energy: -469.883735 where: bonds (distance) C4'-P energy: -77.098 bonds (distance) P-C4' energy: -95.617 flat angles C4'-P-C4' energy: -98.759 flat angles P-C4'-P energy: -76.258 tors. eta vs tors. theta energy: -122.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1420.935450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.935450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.935450 (E_RNA) where: Base-Base interactions energy: -972.538 where: short stacking energy: -430.955 Base-Backbone interact. energy: 2.417 local terms energy: -450.814669 where: bonds (distance) C4'-P energy: -78.384 bonds (distance) P-C4' energy: -91.034 flat angles C4'-P-C4' energy: -96.542 flat angles P-C4'-P energy: -54.129 tors. eta vs tors. theta energy: -130.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1289.101630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.101630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.101630 (E_RNA) where: Base-Base interactions energy: -882.963 where: short stacking energy: -388.617 Base-Backbone interact. energy: -0.107 local terms energy: -406.032248 where: bonds (distance) C4'-P energy: -81.770 bonds (distance) P-C4' energy: -82.370 flat angles C4'-P-C4' energy: -96.975 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -89.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1154.874010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.874010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.874010 (E_RNA) where: Base-Base interactions energy: -773.354 where: short stacking energy: -328.393 Base-Backbone interact. energy: -1.866 local terms energy: -379.654049 where: bonds (distance) C4'-P energy: -71.982 bonds (distance) P-C4' energy: -91.693 flat angles C4'-P-C4' energy: -90.137 flat angles P-C4'-P energy: -43.451 tors. eta vs tors. theta energy: -82.391 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: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1122.342731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.342731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.342731 (E_RNA) where: Base-Base interactions energy: -757.972 where: short stacking energy: -318.645 Base-Backbone interact. energy: 0.158 local terms energy: -364.529494 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -72.713 flat angles C4'-P-C4' energy: -88.960 flat angles P-C4'-P energy: -53.153 tors. eta vs tors. theta energy: -76.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -785.943091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.943091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.943091 (E_RNA) where: Base-Base interactions energy: -446.598 where: short stacking energy: -227.379 Base-Backbone interact. energy: 0.567 local terms energy: -339.912034 where: bonds (distance) C4'-P energy: -89.419 bonds (distance) P-C4' energy: -69.688 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -36.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -633.903505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.903505 (E_RNA) where: Base-Base interactions energy: -368.926 where: short stacking energy: -166.041 Base-Backbone interact. energy: 4.331 local terms energy: -269.308001 where: bonds (distance) C4'-P energy: -76.519 bonds (distance) P-C4' energy: -78.878 flat angles C4'-P-C4' energy: -73.087 flat angles P-C4'-P energy: -43.568 tors. eta vs tors. theta energy: 2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1690.655122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.655122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.655122 (E_RNA) where: Base-Base interactions energy: -1174.629 where: short stacking energy: -507.760 Base-Backbone interact. energy: -2.130 local terms energy: -513.895579 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -102.673 flat angles C4'-P-C4' energy: -112.088 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -139.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1670.507660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.507660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.507660 (E_RNA) where: Base-Base interactions energy: -1211.022 where: short stacking energy: -465.390 Base-Backbone interact. energy: -2.063 local terms energy: -457.422929 where: bonds (distance) C4'-P energy: -82.364 bonds (distance) P-C4' energy: -96.317 flat angles C4'-P-C4' energy: -94.008 flat angles P-C4'-P energy: -69.961 tors. eta vs tors. theta energy: -114.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1619.262897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.262897 (E_RNA) where: Base-Base interactions energy: -1123.313 where: short stacking energy: -500.998 Base-Backbone interact. energy: 5.396 local terms energy: -501.346881 where: bonds (distance) C4'-P energy: -98.130 bonds (distance) P-C4' energy: -93.345 flat angles C4'-P-C4' energy: -103.363 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -141.170 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: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1538.751150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.751150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.751150 (E_RNA) where: Base-Base interactions energy: -1090.557 where: short stacking energy: -422.304 Base-Backbone interact. energy: 1.582 local terms energy: -449.775864 where: bonds (distance) C4'-P energy: -100.446 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -62.274 tors. eta vs tors. theta energy: -109.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1462.458018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.458018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.458018 (E_RNA) where: Base-Base interactions energy: -1005.076 where: short stacking energy: -455.292 Base-Backbone interact. energy: -3.113 local terms energy: -454.269314 where: bonds (distance) C4'-P energy: -86.800 bonds (distance) P-C4' energy: -88.254 flat angles C4'-P-C4' energy: -91.891 flat angles P-C4'-P energy: -68.640 tors. eta vs tors. theta energy: -118.684 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: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1339.340111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.340111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.340111 (E_RNA) where: Base-Base interactions energy: -932.109 where: short stacking energy: -390.044 Base-Backbone interact. energy: -4.019 local terms energy: -403.211751 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -98.078 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: -94.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1140.451841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.451841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.451841 (E_RNA) where: Base-Base interactions energy: -752.949 where: short stacking energy: -320.898 Base-Backbone interact. energy: -2.688 local terms energy: -384.815006 where: bonds (distance) C4'-P energy: -92.472 bonds (distance) P-C4' energy: -91.686 flat angles C4'-P-C4' energy: -79.705 flat angles P-C4'-P energy: -51.203 tors. eta vs tors. theta energy: -69.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1131.431121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.431121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.431121 (E_RNA) where: Base-Base interactions energy: -767.037 where: short stacking energy: -318.144 Base-Backbone interact. energy: -1.187 local terms energy: -363.207079 where: bonds (distance) C4'-P energy: -68.926 bonds (distance) P-C4' energy: -68.434 flat angles C4'-P-C4' energy: -95.180 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -73.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -759.862481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.862481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.862481 (E_RNA) where: Base-Base interactions energy: -445.647 where: short stacking energy: -254.446 Base-Backbone interact. energy: 1.244 local terms energy: -315.459614 where: bonds (distance) C4'-P energy: -88.560 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -72.176 flat angles P-C4'-P energy: -46.342 tors. eta vs tors. theta energy: -36.298 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: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -647.373084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.373084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.373084 (E_RNA) where: Base-Base interactions energy: -390.192 where: short stacking energy: -210.450 Base-Backbone interact. energy: 1.309 local terms energy: -258.489609 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -70.787 flat angles C4'-P-C4' energy: -71.594 flat angles P-C4'-P energy: -37.787 tors. eta vs tors. theta energy: -14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1695.321867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.321867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.321867 (E_RNA) where: Base-Base interactions energy: -1230.108 where: short stacking energy: -468.681 Base-Backbone interact. energy: -2.314 local terms energy: -462.899728 where: bonds (distance) C4'-P energy: -80.077 bonds (distance) P-C4' energy: -97.760 flat angles C4'-P-C4' energy: -97.104 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1648.388916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.388916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.388916 (E_RNA) where: Base-Base interactions energy: -1161.004 where: short stacking energy: -493.398 Base-Backbone interact. energy: -0.841 local terms energy: -486.544042 where: bonds (distance) C4'-P energy: -86.384 bonds (distance) P-C4' energy: -96.811 flat angles C4'-P-C4' energy: -103.122 flat angles P-C4'-P energy: -58.843 tors. eta vs tors. theta energy: -141.384 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: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1627.558065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.558065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.558065 (E_RNA) where: Base-Base interactions energy: -1119.091 where: short stacking energy: -486.180 Base-Backbone interact. energy: 1.862 local terms energy: -510.329890 where: bonds (distance) C4'-P energy: -104.395 bonds (distance) P-C4' energy: -89.919 flat angles C4'-P-C4' energy: -104.842 flat angles P-C4'-P energy: -72.048 tors. eta vs tors. theta energy: -139.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1541.456507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.456507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.456507 (E_RNA) where: Base-Base interactions energy: -1098.880 where: short stacking energy: -450.583 Base-Backbone interact. energy: -2.534 local terms energy: -440.041932 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -83.147 flat angles C4'-P-C4' energy: -97.234 flat angles P-C4'-P energy: -66.851 tors. eta vs tors. theta energy: -127.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1436.446135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.446135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.446135 (E_RNA) where: Base-Base interactions energy: -998.984 where: short stacking energy: -452.766 Base-Backbone interact. energy: -2.205 local terms energy: -435.257181 where: bonds (distance) C4'-P energy: -73.185 bonds (distance) P-C4' energy: -91.916 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -121.315 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: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1342.259500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.259500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.259500 (E_RNA) where: Base-Base interactions energy: -928.648 where: short stacking energy: -403.394 Base-Backbone interact. energy: -1.942 local terms energy: -411.670275 where: bonds (distance) C4'-P energy: -83.276 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -89.238 flat angles P-C4'-P energy: -52.244 tors. eta vs tors. theta energy: -102.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1176.948856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.948856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.948856 (E_RNA) where: Base-Base interactions energy: -804.715 where: short stacking energy: -344.971 Base-Backbone interact. energy: 1.323 local terms energy: -373.556694 where: bonds (distance) C4'-P energy: -66.428 bonds (distance) P-C4' energy: -89.832 flat angles C4'-P-C4' energy: -82.483 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -93.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1077.930857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.930857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.930857 (E_RNA) where: Base-Base interactions energy: -724.660 where: short stacking energy: -306.693 Base-Backbone interact. energy: -1.606 local terms energy: -351.665520 where: bonds (distance) C4'-P energy: -55.724 bonds (distance) P-C4' energy: -71.150 flat angles C4'-P-C4' energy: -77.519 flat angles P-C4'-P energy: -61.884 tors. eta vs tors. theta energy: -85.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -825.661157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.661157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.661157 (E_RNA) where: Base-Base interactions energy: -493.663 where: short stacking energy: -244.100 Base-Backbone interact. energy: 0.143 local terms energy: -332.140835 where: bonds (distance) C4'-P energy: -88.067 bonds (distance) P-C4' energy: -72.162 flat angles C4'-P-C4' energy: -66.782 flat angles P-C4'-P energy: -60.894 tors. eta vs tors. theta energy: -44.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -666.117865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.117865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.117865 (E_RNA) where: Base-Base interactions energy: -394.388 where: short stacking energy: -229.255 Base-Backbone interact. energy: -0.894 local terms energy: -270.836002 where: bonds (distance) C4'-P energy: -79.366 bonds (distance) P-C4' energy: -77.509 flat angles C4'-P-C4' energy: -71.826 flat angles P-C4'-P energy: -27.592 tors. eta vs tors. theta energy: -14.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1706.308274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.308274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.308274 (E_RNA) where: Base-Base interactions energy: -1231.126 where: short stacking energy: -475.085 Base-Backbone interact. energy: -3.795 local terms energy: -471.387405 where: bonds (distance) C4'-P energy: -82.889 bonds (distance) P-C4' energy: -83.794 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: -123.123 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: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1667.050125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.050125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.050125 (E_RNA) where: Base-Base interactions energy: -1187.997 where: short stacking energy: -503.059 Base-Backbone interact. energy: 0.023 local terms energy: -479.075377 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -92.338 flat angles C4'-P-C4' energy: -103.480 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -140.880 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: 303 Temperature: 1.000000 Total energy: -1603.227800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.227800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.227800 (E_RNA) where: Base-Base interactions energy: -1096.984 where: short stacking energy: -481.317 Base-Backbone interact. energy: -3.455 local terms energy: -502.789445 where: bonds (distance) C4'-P energy: -87.596 bonds (distance) P-C4' energy: -101.224 flat angles C4'-P-C4' energy: -104.738 flat angles P-C4'-P energy: -73.436 tors. eta vs tors. theta energy: -135.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1492.218746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.218746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.218746 (E_RNA) where: Base-Base interactions energy: -1055.898 where: short stacking energy: -428.965 Base-Backbone interact. energy: -1.797 local terms energy: -434.524355 where: bonds (distance) C4'-P energy: -62.693 bonds (distance) P-C4' energy: -100.660 flat angles C4'-P-C4' energy: -92.738 flat angles P-C4'-P energy: -53.005 tors. eta vs tors. theta energy: -125.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1450.922385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.922385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.922385 (E_RNA) where: Base-Base interactions energy: -999.411 where: short stacking energy: -442.814 Base-Backbone interact. energy: -3.600 local terms energy: -447.912036 where: bonds (distance) C4'-P energy: -81.169 bonds (distance) P-C4' energy: -90.672 flat angles C4'-P-C4' energy: -96.614 flat angles P-C4'-P energy: -58.615 tors. eta vs tors. theta energy: -120.842 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1291.594919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.594919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.594919 (E_RNA) where: Base-Base interactions energy: -890.946 where: short stacking energy: -377.323 Base-Backbone interact. energy: -2.371 local terms energy: -398.277697 where: bonds (distance) C4'-P energy: -78.145 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -84.387 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: -90.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1190.705002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.705002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.705002 (E_RNA) where: Base-Base interactions energy: -800.390 where: short stacking energy: -334.961 Base-Backbone interact. energy: 5.996 local terms energy: -396.311314 where: bonds (distance) C4'-P energy: -80.277 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -86.473 flat angles P-C4'-P energy: -62.178 tors. eta vs tors. theta energy: -81.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1066.288917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.288917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.288917 (E_RNA) where: Base-Base interactions energy: -708.375 where: short stacking energy: -335.494 Base-Backbone interact. energy: -0.935 local terms energy: -356.978645 where: bonds (distance) C4'-P energy: -70.998 bonds (distance) P-C4' energy: -61.670 flat angles C4'-P-C4' energy: -89.160 flat angles P-C4'-P energy: -51.991 tors. eta vs tors. theta energy: -83.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -773.167430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.167430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.167430 (E_RNA) where: Base-Base interactions energy: -469.424 where: short stacking energy: -228.555 Base-Backbone interact. energy: -2.613 local terms energy: -301.130108 where: bonds (distance) C4'-P energy: -57.663 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -84.861 flat angles P-C4'-P energy: -42.775 tors. eta vs tors. theta energy: -31.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -714.705901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.705901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.705901 (E_RNA) where: Base-Base interactions energy: -436.287 where: short stacking energy: -218.604 Base-Backbone interact. energy: 3.899 local terms energy: -282.318663 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -66.234 flat angles C4'-P-C4' energy: -72.813 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -29.761 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: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1704.255435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.255435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.255435 (E_RNA) where: Base-Base interactions energy: -1226.069 where: short stacking energy: -480.455 Base-Backbone interact. energy: -3.394 local terms energy: -474.791883 where: bonds (distance) C4'-P energy: -80.227 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -113.288 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -121.836 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: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1670.136939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.136939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.136939 (E_RNA) where: Base-Base interactions energy: -1164.565 where: short stacking energy: -480.115 Base-Backbone interact. energy: -5.239 local terms energy: -500.333275 where: bonds (distance) C4'-P energy: -95.039 bonds (distance) P-C4' energy: -89.900 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -144.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1667.808978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.808978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.808978 (E_RNA) where: Base-Base interactions energy: -1177.205 where: short stacking energy: -489.082 Base-Backbone interact. energy: -1.438 local terms energy: -489.166587 where: bonds (distance) C4'-P energy: -95.319 bonds (distance) P-C4' energy: -87.896 flat angles C4'-P-C4' energy: -98.112 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -142.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1515.828092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.828092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.828092 (E_RNA) where: Base-Base interactions energy: -1061.582 where: short stacking energy: -419.293 Base-Backbone interact. energy: -4.888 local terms energy: -449.357645 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -93.976 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -120.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1312.628091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.628091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.628091 (E_RNA) where: Base-Base interactions energy: -890.792 where: short stacking energy: -370.934 Base-Backbone interact. energy: -1.427 local terms energy: -420.409348 where: bonds (distance) C4'-P energy: -83.203 bonds (distance) P-C4' energy: -92.329 flat angles C4'-P-C4' energy: -94.226 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -91.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1320.092353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.092353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.092353 (E_RNA) where: Base-Base interactions energy: -896.253 where: short stacking energy: -372.222 Base-Backbone interact. energy: 1.540 local terms energy: -425.379842 where: bonds (distance) C4'-P energy: -86.299 bonds (distance) P-C4' energy: -89.745 flat angles C4'-P-C4' energy: -88.075 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -99.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1200.257012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.257012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.257012 (E_RNA) where: Base-Base interactions energy: -795.980 where: short stacking energy: -344.234 Base-Backbone interact. energy: 0.213 local terms energy: -404.489627 where: bonds (distance) C4'-P energy: -83.448 bonds (distance) P-C4' energy: -77.625 flat angles C4'-P-C4' energy: -93.388 flat angles P-C4'-P energy: -60.184 tors. eta vs tors. theta energy: -89.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1064.690598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.690598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.690598 (E_RNA) where: Base-Base interactions energy: -707.392 where: short stacking energy: -315.085 Base-Backbone interact. energy: -1.050 local terms energy: -356.248495 where: bonds (distance) C4'-P energy: -75.347 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -90.774 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -59.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -868.543708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.543708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.543708 (E_RNA) where: Base-Base interactions energy: -558.414 where: short stacking energy: -256.398 Base-Backbone interact. energy: -1.823 local terms energy: -308.307211 where: bonds (distance) C4'-P energy: -74.782 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -75.985 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -39.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -723.544245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.544245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.544245 (E_RNA) where: Base-Base interactions energy: -435.732 where: short stacking energy: -200.936 Base-Backbone interact. energy: 0.213 local terms energy: -288.025833 where: bonds (distance) C4'-P energy: -73.137 bonds (distance) P-C4' energy: -85.119 flat angles C4'-P-C4' energy: -63.749 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1726.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.041781 (E_RNA) where: Base-Base interactions energy: -1233.987 where: short stacking energy: -481.243 Base-Backbone interact. energy: -3.421 local terms energy: -488.633955 where: bonds (distance) C4'-P energy: -92.860 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -121.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1679.559018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.559018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.559018 (E_RNA) where: Base-Base interactions energy: -1169.009 where: short stacking energy: -494.698 Base-Backbone interact. energy: 0.542 local terms energy: -511.091802 where: bonds (distance) C4'-P energy: -98.471 bonds (distance) P-C4' energy: -100.645 flat angles C4'-P-C4' energy: -103.553 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -145.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1619.668278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.668278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.668278 (E_RNA) where: Base-Base interactions energy: -1139.160 where: short stacking energy: -474.984 Base-Backbone interact. energy: -0.377 local terms energy: -480.131127 where: bonds (distance) C4'-P energy: -87.791 bonds (distance) P-C4' energy: -88.290 flat angles C4'-P-C4' energy: -100.121 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -137.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1497.806968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.806968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.806968 (E_RNA) where: Base-Base interactions energy: -1060.248 where: short stacking energy: -456.054 Base-Backbone interact. energy: -2.609 local terms energy: -434.949809 where: bonds (distance) C4'-P energy: -82.275 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -94.248 flat angles P-C4'-P energy: -52.597 tors. eta vs tors. theta energy: -120.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1344.942889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.942889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.942889 (E_RNA) where: Base-Base interactions energy: -922.703 where: short stacking energy: -387.620 Base-Backbone interact. energy: -2.916 local terms energy: -419.323949 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -96.622 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -90.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1338.045243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.045243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.045243 (E_RNA) where: Base-Base interactions energy: -910.066 where: short stacking energy: -406.162 Base-Backbone interact. energy: -1.838 local terms energy: -426.141289 where: bonds (distance) C4'-P energy: -87.985 bonds (distance) P-C4' energy: -73.956 flat angles C4'-P-C4' energy: -89.991 flat angles P-C4'-P energy: -71.323 tors. eta vs tors. theta energy: -102.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1256.494197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.494197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.494197 (E_RNA) where: Base-Base interactions energy: -870.804 where: short stacking energy: -382.550 Base-Backbone interact. energy: -0.340 local terms energy: -385.350071 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -45.520 tors. eta vs tors. theta energy: -96.476 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: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1056.999430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.999430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.999430 (E_RNA) where: Base-Base interactions energy: -688.176 where: short stacking energy: -305.469 Base-Backbone interact. energy: -2.051 local terms energy: -366.772192 where: bonds (distance) C4'-P energy: -80.687 bonds (distance) P-C4' energy: -86.786 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -68.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -855.157791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.157791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.157791 (E_RNA) where: Base-Base interactions energy: -538.360 where: short stacking energy: -249.072 Base-Backbone interact. energy: -2.147 local terms energy: -314.651561 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -40.242 tors. eta vs tors. theta energy: -42.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -671.132687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.132687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.132687 (E_RNA) where: Base-Base interactions energy: -398.566 where: short stacking energy: -189.599 Base-Backbone interact. energy: 1.550 local terms energy: -274.117557 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -53.571 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -19.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1716.564847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.564847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.564847 (E_RNA) where: Base-Base interactions energy: -1215.978 where: short stacking energy: -492.986 Base-Backbone interact. energy: -2.742 local terms energy: -497.844469 where: bonds (distance) C4'-P energy: -93.058 bonds (distance) P-C4' energy: -98.149 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -123.715 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: 2, replica: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1740.720599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.720599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.720599 (E_RNA) where: Base-Base interactions energy: -1230.532 where: short stacking energy: -532.266 Base-Backbone interact. energy: 0.593 local terms energy: -510.781868 where: bonds (distance) C4'-P energy: -88.721 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -102.806 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -154.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1567.874068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.874068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.874068 (E_RNA) where: Base-Base interactions energy: -1066.776 where: short stacking energy: -465.678 Base-Backbone interact. energy: -2.933 local terms energy: -498.164748 where: bonds (distance) C4'-P energy: -99.714 bonds (distance) P-C4' energy: -91.828 flat angles C4'-P-C4' energy: -106.131 flat angles P-C4'-P energy: -66.726 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: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1576.490222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.490222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.490222 (E_RNA) where: Base-Base interactions energy: -1112.388 where: short stacking energy: -489.555 Base-Backbone interact. energy: -1.566 local terms energy: -462.536504 where: bonds (distance) C4'-P energy: -94.617 bonds (distance) P-C4' energy: -64.122 flat angles C4'-P-C4' energy: -106.058 flat angles P-C4'-P energy: -59.770 tors. eta vs tors. theta energy: -137.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1389.376181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.376181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.376181 (E_RNA) where: Base-Base interactions energy: -964.252 where: short stacking energy: -399.220 Base-Backbone interact. energy: 1.590 local terms energy: -426.714250 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -86.809 flat angles C4'-P-C4' energy: -96.120 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: -104.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1334.022314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.022314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.022314 (E_RNA) where: Base-Base interactions energy: -926.909 where: short stacking energy: -385.726 Base-Backbone interact. energy: -2.984 local terms energy: -404.129623 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -81.334 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -56.238 tors. eta vs tors. theta energy: -93.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1187.516280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.516280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.516280 (E_RNA) where: Base-Base interactions energy: -811.489 where: short stacking energy: -340.671 Base-Backbone interact. energy: -0.723 local terms energy: -375.303805 where: bonds (distance) C4'-P energy: -83.972 bonds (distance) P-C4' energy: -81.576 flat angles C4'-P-C4' energy: -83.440 flat angles P-C4'-P energy: -45.455 tors. eta vs tors. theta energy: -80.861 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: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1051.705421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.705421 (E_RNA) where: Base-Base interactions energy: -681.106 where: short stacking energy: -287.707 Base-Backbone interact. energy: -1.547 local terms energy: -369.052766 where: bonds (distance) C4'-P energy: -78.044 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -59.582 tors. eta vs tors. theta energy: -64.942 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: 306 Temperature: 1.300000 Total energy: -761.041071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.041071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.041071 (E_RNA) where: Base-Base interactions energy: -475.800 where: short stacking energy: -217.743 Base-Backbone interact. energy: -1.593 local terms energy: -283.648102 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -62.876 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -27.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -762.854079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.854079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.854079 (E_RNA) where: Base-Base interactions energy: -482.127 where: short stacking energy: -212.776 Base-Backbone interact. energy: -1.606 local terms energy: -279.120869 where: bonds (distance) C4'-P energy: -41.046 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -79.274 flat angles P-C4'-P energy: -30.610 tors. eta vs tors. theta energy: -32.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1711.411819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.411819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.411819 (E_RNA) where: Base-Base interactions energy: -1231.277 where: short stacking energy: -492.085 Base-Backbone interact. energy: -5.801 local terms energy: -474.333869 where: bonds (distance) C4'-P energy: -80.892 bonds (distance) P-C4' energy: -94.155 flat angles C4'-P-C4' energy: -109.179 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: -112.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1655.099806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.099806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.099806 (E_RNA) where: Base-Base interactions energy: -1147.921 where: short stacking energy: -487.486 Base-Backbone interact. energy: -2.692 local terms energy: -504.486921 where: bonds (distance) C4'-P energy: -91.638 bonds (distance) P-C4' energy: -89.847 flat angles C4'-P-C4' energy: -112.493 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -134.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1559.278074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.278074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.278074 (E_RNA) where: Base-Base interactions energy: -1094.106 where: short stacking energy: -467.743 Base-Backbone interact. energy: -2.494 local terms energy: -462.677997 where: bonds (distance) C4'-P energy: -80.452 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -56.081 tors. eta vs tors. theta energy: -133.471 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: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1574.994513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.994513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.994513 (E_RNA) where: Base-Base interactions energy: -1086.754 where: short stacking energy: -448.527 Base-Backbone interact. energy: -1.494 local terms energy: -486.746501 where: bonds (distance) C4'-P energy: -87.564 bonds (distance) P-C4' energy: -95.930 flat angles C4'-P-C4' energy: -105.100 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -123.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1401.800111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.800111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.800111 (E_RNA) where: Base-Base interactions energy: -954.755 where: short stacking energy: -409.410 Base-Backbone interact. energy: -1.049 local terms energy: -445.996208 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -100.871 flat angles C4'-P-C4' energy: -97.209 flat angles P-C4'-P energy: -62.729 tors. eta vs tors. theta energy: -108.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1330.270792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.270792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.270792 (E_RNA) where: Base-Base interactions energy: -920.795 where: short stacking energy: -373.759 Base-Backbone interact. energy: 1.672 local terms energy: -411.147631 where: bonds (distance) C4'-P energy: -96.441 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: -92.605 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1209.333759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.333759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.333759 (E_RNA) where: Base-Base interactions energy: -827.756 where: short stacking energy: -349.711 Base-Backbone interact. energy: -2.398 local terms energy: -379.180605 where: bonds (distance) C4'-P energy: -76.477 bonds (distance) P-C4' energy: -72.520 flat angles C4'-P-C4' energy: -86.421 flat angles P-C4'-P energy: -55.038 tors. eta vs tors. theta energy: -88.725 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: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1000.914264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.914264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.914264 (E_RNA) where: Base-Base interactions energy: -658.304 where: short stacking energy: -286.365 Base-Backbone interact. energy: -0.169 local terms energy: -342.441642 where: bonds (distance) C4'-P energy: -69.436 bonds (distance) P-C4' energy: -84.026 flat angles C4'-P-C4' energy: -89.206 flat angles P-C4'-P energy: -51.587 tors. eta vs tors. theta energy: -48.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -799.209651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.209651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.209651 (E_RNA) where: Base-Base interactions energy: -475.977 where: short stacking energy: -228.507 Base-Backbone interact. energy: -2.285 local terms energy: -320.948273 where: bonds (distance) C4'-P energy: -74.633 bonds (distance) P-C4' energy: -82.598 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -32.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -738.316523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.316523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.316523 (E_RNA) where: Base-Base interactions energy: -466.790 where: short stacking energy: -214.573 Base-Backbone interact. energy: -0.421 local terms energy: -271.106130 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -73.016 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -44.366 tors. eta vs tors. theta energy: -17.328 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: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1701.021014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.021014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.021014 (E_RNA) where: Base-Base interactions energy: -1209.965 where: short stacking energy: -463.266 Base-Backbone interact. energy: -6.766 local terms energy: -484.289565 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -108.101 flat angles P-C4'-P energy: -81.748 tors. eta vs tors. theta energy: -113.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1636.776361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.776361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.776361 (E_RNA) where: Base-Base interactions energy: -1157.663 where: short stacking energy: -484.185 Base-Backbone interact. energy: 0.072 local terms energy: -479.185249 where: bonds (distance) C4'-P energy: -82.269 bonds (distance) P-C4' energy: -94.922 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -63.230 tors. eta vs tors. theta energy: -129.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1567.607577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.607577 (E_RNA) where: Base-Base interactions energy: -1089.854 where: short stacking energy: -459.963 Base-Backbone interact. energy: -3.932 local terms energy: -473.822127 where: bonds (distance) C4'-P energy: -87.400 bonds (distance) P-C4' energy: -97.863 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -57.094 tors. eta vs tors. theta energy: -127.440 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: 308 Temperature: 1.050000 Total energy: -1596.603232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.603232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.603232 (E_RNA) where: Base-Base interactions energy: -1117.926 where: short stacking energy: -493.955 Base-Backbone interact. energy: -3.625 local terms energy: -475.051697 where: bonds (distance) C4'-P energy: -81.320 bonds (distance) P-C4' energy: -86.144 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -133.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1411.362619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.362619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.362619 (E_RNA) where: Base-Base interactions energy: -983.677 where: short stacking energy: -428.928 Base-Backbone interact. energy: -1.633 local terms energy: -426.052771 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -77.124 flat angles C4'-P-C4' energy: -94.147 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -102.217 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: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1286.790150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.790150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.790150 (E_RNA) where: Base-Base interactions energy: -870.046 where: short stacking energy: -384.496 Base-Backbone interact. energy: -1.373 local terms energy: -415.371669 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -91.497 flat angles C4'-P-C4' energy: -96.746 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: -93.501 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: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1200.080923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.080923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.080923 (E_RNA) where: Base-Base interactions energy: -820.272 where: short stacking energy: -336.275 Base-Backbone interact. energy: 0.629 local terms energy: -380.437184 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -77.888 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -52.118 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1070.379312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.379312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.379312 (E_RNA) where: Base-Base interactions energy: -719.291 where: short stacking energy: -325.938 Base-Backbone interact. energy: -1.911 local terms energy: -349.176961 where: bonds (distance) C4'-P energy: -65.985 bonds (distance) P-C4' energy: -90.937 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -63.471 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -849.803600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.803600 (E_RNA) where: Base-Base interactions energy: -540.581 where: short stacking energy: -258.594 Base-Backbone interact. energy: -1.233 local terms energy: -307.988795 where: bonds (distance) C4'-P energy: -68.541 bonds (distance) P-C4' energy: -70.975 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -45.371 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: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -694.019520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.019520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.019520 (E_RNA) where: Base-Base interactions energy: -414.169 where: short stacking energy: -182.808 Base-Backbone interact. energy: -0.970 local terms energy: -278.880553 where: bonds (distance) C4'-P energy: -66.916 bonds (distance) P-C4' energy: -84.786 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1696.077464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.077464 (E_RNA) where: Base-Base interactions energy: -1233.927 where: short stacking energy: -452.378 Base-Backbone interact. energy: -0.186 local terms energy: -461.964233 where: bonds (distance) C4'-P energy: -92.942 bonds (distance) P-C4' energy: -83.602 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -115.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1681.778569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.778569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.778569 (E_RNA) where: Base-Base interactions energy: -1184.752 where: short stacking energy: -517.504 Base-Backbone interact. energy: -0.962 local terms energy: -496.064856 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -94.894 flat angles C4'-P-C4' energy: -102.867 flat angles P-C4'-P energy: -69.011 tors. eta vs tors. theta energy: -150.497 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: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1550.435777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.435777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.435777 (E_RNA) where: Base-Base interactions energy: -1081.749 where: short stacking energy: -459.765 Base-Backbone interact. energy: -4.093 local terms energy: -464.594009 where: bonds (distance) C4'-P energy: -94.261 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -95.761 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -117.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1584.370326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.370326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.370326 (E_RNA) where: Base-Base interactions energy: -1113.560 where: short stacking energy: -466.371 Base-Backbone interact. energy: 1.189 local terms energy: -471.999766 where: bonds (distance) C4'-P energy: -89.818 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -96.455 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -140.509 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: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1411.191417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.191417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.191417 (E_RNA) where: Base-Base interactions energy: -993.768 where: short stacking energy: -441.196 Base-Backbone interact. energy: -1.710 local terms energy: -415.713148 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -78.481 flat angles C4'-P-C4' energy: -88.970 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -120.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1290.101662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.101662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.101662 (E_RNA) where: Base-Base interactions energy: -886.809 where: short stacking energy: -370.252 Base-Backbone interact. energy: -0.665 local terms energy: -402.627952 where: bonds (distance) C4'-P energy: -80.920 bonds (distance) P-C4' energy: -75.520 flat angles C4'-P-C4' energy: -98.445 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: -89.783 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: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1217.974847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.974847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.974847 (E_RNA) where: Base-Base interactions energy: -818.139 where: short stacking energy: -359.744 Base-Backbone interact. energy: -0.763 local terms energy: -399.072551 where: bonds (distance) C4'-P energy: -91.057 bonds (distance) P-C4' energy: -78.348 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -48.518 tors. eta vs tors. theta energy: -88.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1112.228471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.228471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.228471 (E_RNA) where: Base-Base interactions energy: -747.147 where: short stacking energy: -332.946 Base-Backbone interact. energy: -6.404 local terms energy: -358.677387 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -67.165 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -78.684 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: 309 Temperature: 1.300000 Total energy: -852.450659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.450659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.450659 (E_RNA) where: Base-Base interactions energy: -526.975 where: short stacking energy: -252.781 Base-Backbone interact. energy: -1.455 local terms energy: -324.020435 where: bonds (distance) C4'-P energy: -62.920 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -42.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -717.796902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.796902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.796902 (E_RNA) where: Base-Base interactions energy: -445.838 where: short stacking energy: -208.309 Base-Backbone interact. energy: 4.799 local terms energy: -276.757010 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -84.250 flat angles P-C4'-P energy: -38.709 tors. eta vs tors. theta energy: -24.800 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: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1711.168770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.168770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.168770 (E_RNA) where: Base-Base interactions energy: -1220.329 where: short stacking energy: -476.621 Base-Backbone interact. energy: -4.733 local terms energy: -486.106358 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -103.418 flat angles P-C4'-P energy: -70.069 tors. eta vs tors. theta energy: -115.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1672.038655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.038655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.038655 (E_RNA) where: Base-Base interactions energy: -1159.974 where: short stacking energy: -495.452 Base-Backbone interact. energy: 1.089 local terms energy: -513.153239 where: bonds (distance) C4'-P energy: -92.202 bonds (distance) P-C4' energy: -93.131 flat angles C4'-P-C4' energy: -112.208 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -144.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1638.020872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.020872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.020872 (E_RNA) where: Base-Base interactions energy: -1150.858 where: short stacking energy: -467.882 Base-Backbone interact. energy: -0.325 local terms energy: -486.838145 where: bonds (distance) C4'-P energy: -90.138 bonds (distance) P-C4' energy: -87.892 flat angles C4'-P-C4' energy: -95.328 flat angles P-C4'-P energy: -71.257 tors. eta vs tors. theta energy: -142.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1517.672639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.672639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.672639 (E_RNA) where: Base-Base interactions energy: -1061.857 where: short stacking energy: -428.969 Base-Backbone interact. energy: -4.803 local terms energy: -451.012045 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -89.920 flat angles C4'-P-C4' energy: -89.131 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -121.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1387.624988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.624988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.624988 (E_RNA) where: Base-Base interactions energy: -965.884 where: short stacking energy: -413.990 Base-Backbone interact. energy: 5.589 local terms energy: -427.329976 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -84.816 flat angles C4'-P-C4' energy: -90.008 flat angles P-C4'-P energy: -66.607 tors. eta vs tors. theta energy: -110.430 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: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1291.288092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.288092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.288092 (E_RNA) where: Base-Base interactions energy: -904.710 where: short stacking energy: -358.456 Base-Backbone interact. energy: 0.172 local terms energy: -386.750184 where: bonds (distance) C4'-P energy: -81.249 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -58.511 tors. eta vs tors. theta energy: -89.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1207.201497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.201497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.201497 (E_RNA) where: Base-Base interactions energy: -813.056 where: short stacking energy: -351.799 Base-Backbone interact. energy: -1.827 local terms energy: -392.318393 where: bonds (distance) C4'-P energy: -72.253 bonds (distance) P-C4' energy: -82.001 flat angles C4'-P-C4' energy: -93.698 flat angles P-C4'-P energy: -61.210 tors. eta vs tors. theta energy: -83.156 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: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1103.973575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.973575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.973575 (E_RNA) where: Base-Base interactions energy: -755.780 where: short stacking energy: -318.469 Base-Backbone interact. energy: 3.156 local terms energy: -351.348981 where: bonds (distance) C4'-P energy: -81.340 bonds (distance) P-C4' energy: -64.680 flat angles C4'-P-C4' energy: -86.408 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -71.694 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: 310 Temperature: 1.300000 Total energy: -858.318210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.318210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.318210 (E_RNA) where: Base-Base interactions energy: -527.755 where: short stacking energy: -270.373 Base-Backbone interact. energy: 1.103 local terms energy: -331.666199 where: bonds (distance) C4'-P energy: -88.526 bonds (distance) P-C4' energy: -63.929 flat angles C4'-P-C4' energy: -71.423 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -54.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -737.574423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.574423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.574423 (E_RNA) where: Base-Base interactions energy: -435.989 where: short stacking energy: -200.174 Base-Backbone interact. energy: -2.844 local terms energy: -298.741710 where: bonds (distance) C4'-P energy: -76.247 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -63.823 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -41.351 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: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1717.073873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.073873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.073873 (E_RNA) where: Base-Base interactions energy: -1222.744 where: short stacking energy: -475.257 Base-Backbone interact. energy: -3.836 local terms energy: -490.494466 where: bonds (distance) C4'-P energy: -92.535 bonds (distance) P-C4' energy: -99.178 flat angles C4'-P-C4' energy: -111.430 flat angles P-C4'-P energy: -68.556 tors. eta vs tors. theta energy: -118.795 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: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1686.491788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.491788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.491788 (E_RNA) where: Base-Base interactions energy: -1190.212 where: short stacking energy: -492.799 Base-Backbone interact. energy: -2.723 local terms energy: -493.557392 where: bonds (distance) C4'-P energy: -92.582 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -104.912 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -137.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1675.173003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.173003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.173003 (E_RNA) where: Base-Base interactions energy: -1178.025 where: short stacking energy: -499.402 Base-Backbone interact. energy: -2.280 local terms energy: -494.868262 where: bonds (distance) C4'-P energy: -94.370 bonds (distance) P-C4' energy: -93.941 flat angles C4'-P-C4' energy: -99.264 flat angles P-C4'-P energy: -65.552 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: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1524.199595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.199595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.199595 (E_RNA) where: Base-Base interactions energy: -1039.869 where: short stacking energy: -435.094 Base-Backbone interact. energy: -4.929 local terms energy: -479.402178 where: bonds (distance) C4'-P energy: -94.624 bonds (distance) P-C4' energy: -96.029 flat angles C4'-P-C4' energy: -97.912 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -121.147 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: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1415.884975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.884975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.884975 (E_RNA) where: Base-Base interactions energy: -992.675 where: short stacking energy: -407.986 Base-Backbone interact. energy: -3.228 local terms energy: -419.981905 where: bonds (distance) C4'-P energy: -72.653 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -107.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1284.236755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.236755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.236755 (E_RNA) where: Base-Base interactions energy: -880.884 where: short stacking energy: -368.870 Base-Backbone interact. energy: -2.387 local terms energy: -400.965707 where: bonds (distance) C4'-P energy: -72.239 bonds (distance) P-C4' energy: -87.438 flat angles C4'-P-C4' energy: -89.928 flat angles P-C4'-P energy: -61.077 tors. eta vs tors. theta energy: -90.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1205.946500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.946500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.946500 (E_RNA) where: Base-Base interactions energy: -819.127 where: short stacking energy: -340.509 Base-Backbone interact. energy: -1.624 local terms energy: -385.195398 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -79.180 flat angles C4'-P-C4' energy: -96.247 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: -84.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -998.283306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.283306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.283306 (E_RNA) where: Base-Base interactions energy: -681.227 where: short stacking energy: -289.593 Base-Backbone interact. energy: 8.644 local terms energy: -325.700521 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -86.714 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -40.288 tors. eta vs tors. theta energy: -52.873 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: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -827.628178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.628178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.628178 (E_RNA) where: Base-Base interactions energy: -516.204 where: short stacking energy: -239.224 Base-Backbone interact. energy: 5.527 local terms energy: -316.951663 where: bonds (distance) C4'-P energy: -87.023 bonds (distance) P-C4' energy: -75.809 flat angles C4'-P-C4' energy: -77.445 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -34.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -734.622243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.622243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.622243 (E_RNA) where: Base-Base interactions energy: -432.786 where: short stacking energy: -208.579 Base-Backbone interact. energy: 2.650 local terms energy: -304.486230 where: bonds (distance) C4'-P energy: -80.741 bonds (distance) P-C4' energy: -78.678 flat angles C4'-P-C4' energy: -77.750 flat angles P-C4'-P energy: -60.865 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1730.508456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.508456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.508456 (E_RNA) where: Base-Base interactions energy: -1207.360 where: short stacking energy: -508.136 Base-Backbone interact. energy: -4.167 local terms energy: -518.980724 where: bonds (distance) C4'-P energy: -91.580 bonds (distance) P-C4' energy: -94.658 flat angles C4'-P-C4' energy: -112.081 flat angles P-C4'-P energy: -79.355 tors. eta vs tors. theta energy: -141.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1687.389345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.389345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.389345 (E_RNA) where: Base-Base interactions energy: -1222.392 where: short stacking energy: -464.184 Base-Backbone interact. energy: -2.390 local terms energy: -462.607569 where: bonds (distance) C4'-P energy: -82.692 bonds (distance) P-C4' energy: -86.925 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -65.590 tors. eta vs tors. theta energy: -121.338 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: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1649.404361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.404361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.404361 (E_RNA) where: Base-Base interactions energy: -1158.102 where: short stacking energy: -476.580 Base-Backbone interact. energy: 2.545 local terms energy: -493.847313 where: bonds (distance) C4'-P energy: -82.387 bonds (distance) P-C4' energy: -88.442 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -150.598 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: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1544.512563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.512563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.512563 (E_RNA) where: Base-Base interactions energy: -1087.125 where: short stacking energy: -440.900 Base-Backbone interact. energy: -1.209 local terms energy: -456.178367 where: bonds (distance) C4'-P energy: -85.419 bonds (distance) P-C4' energy: -82.335 flat angles C4'-P-C4' energy: -98.989 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -126.128 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: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1352.646081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.646081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.646081 (E_RNA) where: Base-Base interactions energy: -921.198 where: short stacking energy: -386.666 Base-Backbone interact. energy: -3.692 local terms energy: -427.755650 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -87.652 flat angles C4'-P-C4' energy: -109.515 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -95.761 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: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1370.067365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.067365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.067365 (E_RNA) where: Base-Base interactions energy: -943.892 where: short stacking energy: -404.526 Base-Backbone interact. energy: 0.765 local terms energy: -426.940534 where: bonds (distance) C4'-P energy: -79.891 bonds (distance) P-C4' energy: -79.927 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -106.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1240.056820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.056820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.056820 (E_RNA) where: Base-Base interactions energy: -854.717 where: short stacking energy: -356.864 Base-Backbone interact. energy: -2.542 local terms energy: -382.797377 where: bonds (distance) C4'-P energy: -65.843 bonds (distance) P-C4' energy: -80.150 flat angles C4'-P-C4' energy: -88.476 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: -89.199 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: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1015.859689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.859689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.859689 (E_RNA) where: Base-Base interactions energy: -691.291 where: short stacking energy: -295.959 Base-Backbone interact. energy: 0.322 local terms energy: -324.890940 where: bonds (distance) C4'-P energy: -79.459 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -82.133 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -34.444 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: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -777.343184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.343184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.343184 (E_RNA) where: Base-Base interactions energy: -475.933 where: short stacking energy: -239.674 Base-Backbone interact. energy: -0.613 local terms energy: -300.796690 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -81.399 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -48.565 tors. eta vs tors. theta energy: -26.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -774.244285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.244285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.244285 (E_RNA) where: Base-Base interactions energy: -472.024 where: short stacking energy: -235.290 Base-Backbone interact. energy: 2.575 local terms energy: -304.795352 where: bonds (distance) C4'-P energy: -65.203 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -55.281 tors. eta vs tors. theta energy: -38.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1720.364376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.364376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.364376 (E_RNA) where: Base-Base interactions energy: -1201.835 where: short stacking energy: -498.666 Base-Backbone interact. energy: -2.874 local terms energy: -515.655737 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -98.231 flat angles C4'-P-C4' energy: -106.529 flat angles P-C4'-P energy: -83.343 tors. eta vs tors. theta energy: -136.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1692.946534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.946534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.946534 (E_RNA) where: Base-Base interactions energy: -1176.373 where: short stacking energy: -509.972 Base-Backbone interact. energy: -0.191 local terms energy: -516.382948 where: bonds (distance) C4'-P energy: -94.531 bonds (distance) P-C4' energy: -100.183 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -73.631 tors. eta vs tors. theta energy: -143.836 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: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1623.461240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.461240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.461240 (E_RNA) where: Base-Base interactions energy: -1152.575 where: short stacking energy: -467.613 Base-Backbone interact. energy: -3.205 local terms energy: -467.681200 where: bonds (distance) C4'-P energy: -87.078 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -95.758 flat angles P-C4'-P energy: -71.340 tors. eta vs tors. theta energy: -119.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1546.643387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.643387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.643387 (E_RNA) where: Base-Base interactions energy: -1091.127 where: short stacking energy: -463.115 Base-Backbone interact. energy: -3.524 local terms energy: -451.992099 where: bonds (distance) C4'-P energy: -83.381 bonds (distance) P-C4' energy: -81.752 flat angles C4'-P-C4' energy: -96.332 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -127.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1401.155791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.155791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.155791 (E_RNA) where: Base-Base interactions energy: -956.679 where: short stacking energy: -405.157 Base-Backbone interact. energy: -3.383 local terms energy: -441.094016 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -92.897 flat angles C4'-P-C4' energy: -84.377 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -115.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1360.766294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.766294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.766294 (E_RNA) where: Base-Base interactions energy: -933.707 where: short stacking energy: -388.848 Base-Backbone interact. energy: -1.931 local terms energy: -425.128626 where: bonds (distance) C4'-P energy: -90.058 bonds (distance) P-C4' energy: -83.572 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -59.356 tors. eta vs tors. theta energy: -102.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1226.944791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.944791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.944791 (E_RNA) where: Base-Base interactions energy: -838.184 where: short stacking energy: -352.861 Base-Backbone interact. energy: -1.195 local terms energy: -387.565159 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -85.266 flat angles C4'-P-C4' energy: -86.413 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -80.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1116.467439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.467439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.467439 (E_RNA) where: Base-Base interactions energy: -760.307 where: short stacking energy: -324.392 Base-Backbone interact. energy: -1.513 local terms energy: -354.648160 where: bonds (distance) C4'-P energy: -77.133 bonds (distance) P-C4' energy: -95.559 flat angles C4'-P-C4' energy: -86.246 flat angles P-C4'-P energy: -44.538 tors. eta vs tors. theta energy: -51.173 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: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -739.308724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.308724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.308724 (E_RNA) where: Base-Base interactions energy: -474.320 where: short stacking energy: -213.108 Base-Backbone interact. energy: 5.995 local terms energy: -270.983596 where: bonds (distance) C4'-P energy: -64.674 bonds (distance) P-C4' energy: -79.223 flat angles C4'-P-C4' energy: -77.952 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -774.664016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.664016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.664016 (E_RNA) where: Base-Base interactions energy: -479.591 where: short stacking energy: -225.373 Base-Backbone interact. energy: 2.629 local terms energy: -297.701704 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -24.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1728.761327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.761327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.761327 (E_RNA) where: Base-Base interactions energy: -1219.313 where: short stacking energy: -516.059 Base-Backbone interact. energy: -2.901 local terms energy: -506.547305 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -85.948 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -68.538 tors. eta vs tors. theta energy: -138.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1681.887299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.887299 (E_RNA) where: Base-Base interactions energy: -1178.073 where: short stacking energy: -519.208 Base-Backbone interact. energy: -0.429 local terms energy: -503.385102 where: bonds (distance) C4'-P energy: -79.643 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -148.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1633.972556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.972556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.972556 (E_RNA) where: Base-Base interactions energy: -1163.166 where: short stacking energy: -447.151 Base-Backbone interact. energy: -1.064 local terms energy: -469.743036 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -89.195 flat angles C4'-P-C4' energy: -102.730 flat angles P-C4'-P energy: -67.436 tors. eta vs tors. theta energy: -121.962 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1521.081037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.081037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.081037 (E_RNA) where: Base-Base interactions energy: -1057.548 where: short stacking energy: -451.884 Base-Backbone interact. energy: -0.567 local terms energy: -462.965575 where: bonds (distance) C4'-P energy: -80.591 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -101.617 flat angles P-C4'-P energy: -67.524 tors. eta vs tors. theta energy: -117.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1393.034871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.034871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.034871 (E_RNA) where: Base-Base interactions energy: -973.846 where: short stacking energy: -415.149 Base-Backbone interact. energy: -2.746 local terms energy: -416.442879 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -83.736 flat angles C4'-P-C4' energy: -90.974 flat angles P-C4'-P energy: -61.720 tors. eta vs tors. theta energy: -104.722 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: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1323.379885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.379885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.379885 (E_RNA) where: Base-Base interactions energy: -924.349 where: short stacking energy: -364.307 Base-Backbone interact. energy: -0.813 local terms energy: -398.218000 where: bonds (distance) C4'-P energy: -84.796 bonds (distance) P-C4' energy: -83.027 flat angles C4'-P-C4' energy: -88.774 flat angles P-C4'-P energy: -60.919 tors. eta vs tors. theta energy: -80.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1242.133386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.133386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.133386 (E_RNA) where: Base-Base interactions energy: -859.858 where: short stacking energy: -360.949 Base-Backbone interact. energy: 3.656 local terms energy: -385.931111 where: bonds (distance) C4'-P energy: -80.382 bonds (distance) P-C4' energy: -84.525 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -43.919 tors. eta vs tors. theta energy: -85.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1106.903411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.903411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.903411 (E_RNA) where: Base-Base interactions energy: -745.913 where: short stacking energy: -302.683 Base-Backbone interact. energy: -1.874 local terms energy: -359.116324 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -76.941 flat angles C4'-P-C4' energy: -91.236 flat angles P-C4'-P energy: -42.948 tors. eta vs tors. theta energy: -71.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -887.707004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.707004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.707004 (E_RNA) where: Base-Base interactions energy: -542.871 where: short stacking energy: -251.341 Base-Backbone interact. energy: -2.349 local terms energy: -342.486567 where: bonds (distance) C4'-P energy: -90.816 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -75.912 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: -55.201 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: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -708.287493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.287493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.287493 (E_RNA) where: Base-Base interactions energy: -430.154 where: short stacking energy: -197.762 Base-Backbone interact. energy: -3.729 local terms energy: -274.404713 where: bonds (distance) C4'-P energy: -65.540 bonds (distance) P-C4' energy: -77.644 flat angles C4'-P-C4' energy: -65.795 flat angles P-C4'-P energy: -49.288 tors. eta vs tors. theta energy: -16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1708.748540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.748540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.748540 (E_RNA) where: Base-Base interactions energy: -1190.532 where: short stacking energy: -515.686 Base-Backbone interact. energy: -1.711 local terms energy: -516.505408 where: bonds (distance) C4'-P energy: -104.660 bonds (distance) P-C4' energy: -92.624 flat angles C4'-P-C4' energy: -100.009 flat angles P-C4'-P energy: -77.026 tors. eta vs tors. theta energy: -142.187 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: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1673.824906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.824906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.824906 (E_RNA) where: Base-Base interactions energy: -1181.703 where: short stacking energy: -500.184 Base-Backbone interact. energy: -2.616 local terms energy: -489.506434 where: bonds (distance) C4'-P energy: -96.017 bonds (distance) P-C4' energy: -82.331 flat angles C4'-P-C4' energy: -106.783 flat angles P-C4'-P energy: -60.302 tors. eta vs tors. theta energy: -144.074 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: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1628.721440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.721440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.721440 (E_RNA) where: Base-Base interactions energy: -1175.387 where: short stacking energy: -448.808 Base-Backbone interact. energy: -2.975 local terms energy: -450.359945 where: bonds (distance) C4'-P energy: -85.202 bonds (distance) P-C4' energy: -85.587 flat angles C4'-P-C4' energy: -101.285 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -113.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1515.961765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.961765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.961765 (E_RNA) where: Base-Base interactions energy: -1047.836 where: short stacking energy: -446.443 Base-Backbone interact. energy: -0.182 local terms energy: -467.943830 where: bonds (distance) C4'-P energy: -83.020 bonds (distance) P-C4' energy: -96.979 flat angles C4'-P-C4' energy: -97.794 flat angles P-C4'-P energy: -66.886 tors. eta vs tors. theta energy: -123.264 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: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1339.847811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.847811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.847811 (E_RNA) where: Base-Base interactions energy: -919.417 where: short stacking energy: -365.811 Base-Backbone interact. energy: -0.765 local terms energy: -419.666055 where: bonds (distance) C4'-P energy: -85.095 bonds (distance) P-C4' energy: -85.908 flat angles C4'-P-C4' energy: -101.318 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: -84.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1275.485860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.485860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.485860 (E_RNA) where: Base-Base interactions energy: -869.430 where: short stacking energy: -376.688 Base-Backbone interact. energy: -0.695 local terms energy: -405.360370 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -98.905 flat angles C4'-P-C4' energy: -92.904 flat angles P-C4'-P energy: -51.713 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: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1343.799438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.799438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.799438 (E_RNA) where: Base-Base interactions energy: -926.766 where: short stacking energy: -386.329 Base-Backbone interact. energy: -1.545 local terms energy: -415.488252 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -91.754 flat angles C4'-P-C4' energy: -91.407 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -97.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1136.070199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.070199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.070199 (E_RNA) where: Base-Base interactions energy: -757.417 where: short stacking energy: -343.627 Base-Backbone interact. energy: -2.912 local terms energy: -375.741534 where: bonds (distance) C4'-P energy: -73.976 bonds (distance) P-C4' energy: -72.742 flat angles C4'-P-C4' energy: -90.061 flat angles P-C4'-P energy: -53.737 tors. eta vs tors. theta energy: -85.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -841.858810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.858810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.858810 (E_RNA) where: Base-Base interactions energy: -526.410 where: short stacking energy: -247.110 Base-Backbone interact. energy: -0.565 local terms energy: -314.883827 where: bonds (distance) C4'-P energy: -77.419 bonds (distance) P-C4' energy: -83.253 flat angles C4'-P-C4' energy: -75.944 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -35.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -656.150009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.150009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.150009 (E_RNA) where: Base-Base interactions energy: -375.839 where: short stacking energy: -193.573 Base-Backbone interact. energy: -1.616 local terms energy: -278.694716 where: bonds (distance) C4'-P energy: -71.044 bonds (distance) P-C4' energy: -75.781 flat angles C4'-P-C4' energy: -59.093 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -21.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1710.300959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.300959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.300959 (E_RNA) where: Base-Base interactions energy: -1198.263 where: short stacking energy: -495.219 Base-Backbone interact. energy: -2.196 local terms energy: -509.841808 where: bonds (distance) C4'-P energy: -99.995 bonds (distance) P-C4' energy: -103.063 flat angles C4'-P-C4' energy: -100.893 flat angles P-C4'-P energy: -73.968 tors. eta vs tors. theta energy: -131.924 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: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1712.596462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.596462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.596462 (E_RNA) where: Base-Base interactions energy: -1223.089 where: short stacking energy: -513.271 Base-Backbone interact. energy: 4.916 local terms energy: -494.423999 where: bonds (distance) C4'-P energy: -85.505 bonds (distance) P-C4' energy: -98.090 flat angles C4'-P-C4' energy: -100.395 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -141.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1622.442009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.442009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.442009 (E_RNA) where: Base-Base interactions energy: -1188.826 where: short stacking energy: -476.911 Base-Backbone interact. energy: -2.029 local terms energy: -431.587378 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -76.232 flat angles C4'-P-C4' energy: -91.899 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: -115.728 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: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1532.820275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.820275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.820275 (E_RNA) where: Base-Base interactions energy: -1071.215 where: short stacking energy: -434.082 Base-Backbone interact. energy: -2.028 local terms energy: -459.576855 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -102.368 flat angles P-C4'-P energy: -68.879 tors. eta vs tors. theta energy: -116.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1379.261501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.261501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.261501 (E_RNA) where: Base-Base interactions energy: -959.007 where: short stacking energy: -408.073 Base-Backbone interact. energy: -2.818 local terms energy: -417.436554 where: bonds (distance) C4'-P energy: -92.551 bonds (distance) P-C4' energy: -89.668 flat angles C4'-P-C4' energy: -88.975 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1311.175966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.175966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.175966 (E_RNA) where: Base-Base interactions energy: -886.687 where: short stacking energy: -385.961 Base-Backbone interact. energy: -1.461 local terms energy: -423.027965 where: bonds (distance) C4'-P energy: -81.112 bonds (distance) P-C4' energy: -77.462 flat angles C4'-P-C4' energy: -101.128 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -111.392 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: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1309.307744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.307744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.307744 (E_RNA) where: Base-Base interactions energy: -921.635 where: short stacking energy: -355.223 Base-Backbone interact. energy: -0.708 local terms energy: -386.964393 where: bonds (distance) C4'-P energy: -81.360 bonds (distance) P-C4' energy: -71.222 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -51.731 tors. eta vs tors. theta energy: -100.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1090.549881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.549881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.549881 (E_RNA) where: Base-Base interactions energy: -711.180 where: short stacking energy: -306.766 Base-Backbone interact. energy: -2.731 local terms energy: -376.638955 where: bonds (distance) C4'-P energy: -84.829 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -88.616 flat angles P-C4'-P energy: -52.790 tors. eta vs tors. theta energy: -71.264 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: 316 Temperature: 1.300000 Total energy: -908.475421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.475421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.475421 (E_RNA) where: Base-Base interactions energy: -581.946 where: short stacking energy: -246.208 Base-Backbone interact. energy: 1.215 local terms energy: -327.744345 where: bonds (distance) C4'-P energy: -91.817 bonds (distance) P-C4' energy: -88.601 flat angles C4'-P-C4' energy: -65.573 flat angles P-C4'-P energy: -45.885 tors. eta vs tors. theta energy: -35.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -636.014340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.014340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.014340 (E_RNA) where: Base-Base interactions energy: -371.653 where: short stacking energy: -198.739 Base-Backbone interact. energy: 6.530 local terms energy: -270.891222 where: bonds (distance) C4'-P energy: -74.055 bonds (distance) P-C4' energy: -81.325 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1736.574307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.574307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.574307 (E_RNA) where: Base-Base interactions energy: -1207.634 where: short stacking energy: -492.910 Base-Backbone interact. energy: -3.444 local terms energy: -525.496380 where: bonds (distance) C4'-P energy: -95.073 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -113.677 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -138.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1702.713581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.713581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.713581 (E_RNA) where: Base-Base interactions energy: -1183.338 where: short stacking energy: -497.354 Base-Backbone interact. energy: 0.844 local terms energy: -520.219646 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -110.326 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -144.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1648.490196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.490196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.490196 (E_RNA) where: Base-Base interactions energy: -1186.027 where: short stacking energy: -477.557 Base-Backbone interact. energy: 3.678 local terms energy: -466.141417 where: bonds (distance) C4'-P energy: -83.228 bonds (distance) P-C4' energy: -88.257 flat angles C4'-P-C4' energy: -105.948 flat angles P-C4'-P energy: -67.766 tors. eta vs tors. theta energy: -120.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1507.276193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.276193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.276193 (E_RNA) where: Base-Base interactions energy: -1051.481 where: short stacking energy: -427.544 Base-Backbone interact. energy: -1.992 local terms energy: -453.803412 where: bonds (distance) C4'-P energy: -89.023 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -98.295 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: -110.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1387.985465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.985465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.985465 (E_RNA) where: Base-Base interactions energy: -981.621 where: short stacking energy: -392.021 Base-Backbone interact. energy: -3.073 local terms energy: -403.291360 where: bonds (distance) C4'-P energy: -74.817 bonds (distance) P-C4' energy: -92.402 flat angles C4'-P-C4' energy: -89.844 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -89.935 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: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1305.221583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.221583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.221583 (E_RNA) where: Base-Base interactions energy: -894.640 where: short stacking energy: -389.971 Base-Backbone interact. energy: -1.473 local terms energy: -409.108806 where: bonds (distance) C4'-P energy: -95.660 bonds (distance) P-C4' energy: -77.583 flat angles C4'-P-C4' energy: -86.845 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: -92.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1263.004220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.004220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.004220 (E_RNA) where: Base-Base interactions energy: -866.431 where: short stacking energy: -357.904 Base-Backbone interact. energy: -6.784 local terms energy: -389.788832 where: bonds (distance) C4'-P energy: -73.565 bonds (distance) P-C4' energy: -65.458 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -67.895 tors. eta vs tors. theta energy: -87.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1141.748635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.748635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.748635 (E_RNA) where: Base-Base interactions energy: -772.217 where: short stacking energy: -332.252 Base-Backbone interact. energy: -0.579 local terms energy: -368.952751 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -72.463 flat angles C4'-P-C4' energy: -84.602 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -81.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -987.272769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.272769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.272769 (E_RNA) where: Base-Base interactions energy: -612.447 where: short stacking energy: -279.798 Base-Backbone interact. energy: -1.963 local terms energy: -372.862678 where: bonds (distance) C4'-P energy: -83.392 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -91.767 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -55.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -726.859675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.859675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.859675 (E_RNA) where: Base-Base interactions energy: -423.031 where: short stacking energy: -198.621 Base-Backbone interact. energy: 0.048 local terms energy: -303.876100 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -79.380 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -23.070 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1742.575176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.575176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.575176 (E_RNA) where: Base-Base interactions energy: -1222.328 where: short stacking energy: -506.008 Base-Backbone interact. energy: -2.505 local terms energy: -517.742258 where: bonds (distance) C4'-P energy: -94.050 bonds (distance) P-C4' energy: -97.162 flat angles C4'-P-C4' energy: -116.452 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -137.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1697.245175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.245175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.245175 (E_RNA) where: Base-Base interactions energy: -1193.833 where: short stacking energy: -502.641 Base-Backbone interact. energy: -1.159 local terms energy: -502.252614 where: bonds (distance) C4'-P energy: -85.767 bonds (distance) P-C4' energy: -97.628 flat angles C4'-P-C4' energy: -101.774 flat angles P-C4'-P energy: -72.063 tors. eta vs tors. theta energy: -145.020 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: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1620.954673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.954673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.954673 (E_RNA) where: Base-Base interactions energy: -1163.744 where: short stacking energy: -440.038 Base-Backbone interact. energy: -3.452 local terms energy: -453.758881 where: bonds (distance) C4'-P energy: -101.036 bonds (distance) P-C4' energy: -89.263 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -52.761 tors. eta vs tors. theta energy: -113.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1524.175009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.175009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.175009 (E_RNA) where: Base-Base interactions energy: -1087.437 where: short stacking energy: -448.143 Base-Backbone interact. energy: -0.797 local terms energy: -435.941322 where: bonds (distance) C4'-P energy: -81.196 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -102.021 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -125.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1420.322414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.322414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.322414 (E_RNA) where: Base-Base interactions energy: -990.611 where: short stacking energy: -408.336 Base-Backbone interact. energy: -1.659 local terms energy: -428.052887 where: bonds (distance) C4'-P energy: -92.037 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -95.387 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -98.994 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: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1348.948367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.948367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.948367 (E_RNA) where: Base-Base interactions energy: -942.717 where: short stacking energy: -409.962 Base-Backbone interact. energy: -2.368 local terms energy: -403.863404 where: bonds (distance) C4'-P energy: -77.029 bonds (distance) P-C4' energy: -80.104 flat angles C4'-P-C4' energy: -96.586 flat angles P-C4'-P energy: -51.107 tors. eta vs tors. theta energy: -99.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1256.196207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.196207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.196207 (E_RNA) where: Base-Base interactions energy: -862.547 where: short stacking energy: -371.366 Base-Backbone interact. energy: -1.061 local terms energy: -392.587981 where: bonds (distance) C4'-P energy: -77.707 bonds (distance) P-C4' energy: -72.173 flat angles C4'-P-C4' energy: -101.672 flat angles P-C4'-P energy: -48.216 tors. eta vs tors. theta energy: -92.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1135.250754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.250754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.250754 (E_RNA) where: Base-Base interactions energy: -777.398 where: short stacking energy: -308.278 Base-Backbone interact. energy: -0.741 local terms energy: -357.111067 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -64.464 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: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -981.510530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.510530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.510530 (E_RNA) where: Base-Base interactions energy: -647.774 where: short stacking energy: -265.610 Base-Backbone interact. energy: -1.547 local terms energy: -332.189971 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -74.589 flat angles P-C4'-P energy: -44.650 tors. eta vs tors. theta energy: -45.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -744.671493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.671493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.671493 (E_RNA) where: Base-Base interactions energy: -435.996 where: short stacking energy: -209.035 Base-Backbone interact. energy: -1.544 local terms energy: -307.131935 where: bonds (distance) C4'-P energy: -67.059 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -73.866 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -25.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1742.168839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.168839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.168839 (E_RNA) where: Base-Base interactions energy: -1219.775 where: short stacking energy: -515.222 Base-Backbone interact. energy: -3.586 local terms energy: -518.807348 where: bonds (distance) C4'-P energy: -96.876 bonds (distance) P-C4' energy: -90.211 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -75.496 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: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1657.247943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.247943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.247943 (E_RNA) where: Base-Base interactions energy: -1161.641 where: short stacking energy: -468.231 Base-Backbone interact. energy: -4.519 local terms energy: -491.087068 where: bonds (distance) C4'-P energy: -90.678 bonds (distance) P-C4' energy: -102.165 flat angles C4'-P-C4' energy: -101.488 flat angles P-C4'-P energy: -75.218 tors. eta vs tors. theta energy: -121.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1635.547207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.547207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.547207 (E_RNA) where: Base-Base interactions energy: -1155.772 where: short stacking energy: -494.005 Base-Backbone interact. energy: -0.646 local terms energy: -479.129590 where: bonds (distance) C4'-P energy: -78.676 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -68.846 tors. eta vs tors. theta energy: -139.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1488.044212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.044212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.044212 (E_RNA) where: Base-Base interactions energy: -1062.137 where: short stacking energy: -446.715 Base-Backbone interact. energy: -1.955 local terms energy: -423.952073 where: bonds (distance) C4'-P energy: -76.053 bonds (distance) P-C4' energy: -88.490 flat angles C4'-P-C4' energy: -92.617 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -113.396 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: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1432.486996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.486996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.486996 (E_RNA) where: Base-Base interactions energy: -1007.552 where: short stacking energy: -414.932 Base-Backbone interact. energy: -1.335 local terms energy: -423.600730 where: bonds (distance) C4'-P energy: -77.078 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -85.664 flat angles P-C4'-P energy: -64.640 tors. eta vs tors. theta energy: -104.025 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: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1363.925116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.925116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.925116 (E_RNA) where: Base-Base interactions energy: -951.941 where: short stacking energy: -376.426 Base-Backbone interact. energy: -1.117 local terms energy: -410.867604 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -77.239 flat angles C4'-P-C4' energy: -98.951 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -93.538 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: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1233.181877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.181877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.181877 (E_RNA) where: Base-Base interactions energy: -854.084 where: short stacking energy: -358.911 Base-Backbone interact. energy: -3.760 local terms energy: -375.338424 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -69.737 flat angles C4'-P-C4' energy: -84.515 flat angles P-C4'-P energy: -59.850 tors. eta vs tors. theta energy: -74.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1196.020890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.020890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.020890 (E_RNA) where: Base-Base interactions energy: -829.378 where: short stacking energy: -348.810 Base-Backbone interact. energy: -2.921 local terms energy: -363.721328 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -81.172 flat angles C4'-P-C4' energy: -93.412 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: -71.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -933.189109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.189109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.189109 (E_RNA) where: Base-Base interactions energy: -602.925 where: short stacking energy: -268.813 Base-Backbone interact. energy: -4.676 local terms energy: -325.588874 where: bonds (distance) C4'-P energy: -70.141 bonds (distance) P-C4' energy: -87.308 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -44.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -779.514945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.514945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.514945 (E_RNA) where: Base-Base interactions energy: -500.311 where: short stacking energy: -218.479 Base-Backbone interact. energy: 1.138 local terms energy: -280.342619 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -67.625 flat angles C4'-P-C4' energy: -71.463 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -13.366 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: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1761.577505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.577505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.577505 (E_RNA) where: Base-Base interactions energy: -1242.941 where: short stacking energy: -526.550 Base-Backbone interact. energy: -5.813 local terms energy: -512.823890 where: bonds (distance) C4'-P energy: -91.298 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -118.181 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -150.013 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: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1625.820738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.820738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.820738 (E_RNA) where: Base-Base interactions energy: -1160.163 where: short stacking energy: -448.713 Base-Backbone interact. energy: -1.281 local terms energy: -464.377054 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -80.286 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -124.086 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: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1632.643313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.643313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.643313 (E_RNA) where: Base-Base interactions energy: -1137.731 where: short stacking energy: -479.421 Base-Backbone interact. energy: -2.449 local terms energy: -492.463392 where: bonds (distance) C4'-P energy: -83.517 bonds (distance) P-C4' energy: -102.067 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -135.250 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: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1516.558580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.558580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.558580 (E_RNA) where: Base-Base interactions energy: -1054.876 where: short stacking energy: -438.689 Base-Backbone interact. energy: -1.695 local terms energy: -459.986770 where: bonds (distance) C4'-P energy: -88.794 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -96.575 flat angles P-C4'-P energy: -64.460 tors. eta vs tors. theta energy: -112.482 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: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1447.425421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.425421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.425421 (E_RNA) where: Base-Base interactions energy: -995.633 where: short stacking energy: -431.453 Base-Backbone interact. energy: -3.484 local terms energy: -448.308144 where: bonds (distance) C4'-P energy: -82.857 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -91.793 flat angles P-C4'-P energy: -69.394 tors. eta vs tors. theta energy: -113.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1353.794942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.794942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.794942 (E_RNA) where: Base-Base interactions energy: -967.054 where: short stacking energy: -415.310 Base-Backbone interact. energy: -1.215 local terms energy: -385.526611 where: bonds (distance) C4'-P energy: -72.609 bonds (distance) P-C4' energy: -72.627 flat angles C4'-P-C4' energy: -82.184 flat angles P-C4'-P energy: -49.898 tors. eta vs tors. theta energy: -108.209 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: 320 Temperature: 1.200000 Total energy: -1272.843254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.843254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.843254 (E_RNA) where: Base-Base interactions energy: -886.359 where: short stacking energy: -393.195 Base-Backbone interact. energy: -1.879 local terms energy: -384.605267 where: bonds (distance) C4'-P energy: -81.341 bonds (distance) P-C4' energy: -71.902 flat angles C4'-P-C4' energy: -89.564 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -89.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1180.639869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.639869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.639869 (E_RNA) where: Base-Base interactions energy: -804.269 where: short stacking energy: -333.702 Base-Backbone interact. energy: -1.848 local terms energy: -374.523567 where: bonds (distance) C4'-P energy: -73.530 bonds (distance) P-C4' energy: -91.287 flat angles C4'-P-C4' energy: -86.488 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -65.621 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: 320 Temperature: 1.300000 Total energy: -917.574364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.574364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.574364 (E_RNA) where: Base-Base interactions energy: -595.577 where: short stacking energy: -264.311 Base-Backbone interact. energy: 3.313 local terms energy: -325.309788 where: bonds (distance) C4'-P energy: -80.929 bonds (distance) P-C4' energy: -74.386 flat angles C4'-P-C4' energy: -84.086 flat angles P-C4'-P energy: -46.092 tors. eta vs tors. theta energy: -39.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -728.339803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.339803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.339803 (E_RNA) where: Base-Base interactions energy: -451.005 where: short stacking energy: -221.880 Base-Backbone interact. energy: -0.215 local terms energy: -277.118975 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -32.618 tors. eta vs tors. theta energy: -22.332 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: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1732.703312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.703312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.703312 (E_RNA) where: Base-Base interactions energy: -1207.148 where: short stacking energy: -499.588 Base-Backbone interact. energy: -2.766 local terms energy: -522.789285 where: bonds (distance) C4'-P energy: -103.056 bonds (distance) P-C4' energy: -96.923 flat angles C4'-P-C4' energy: -103.133 flat angles P-C4'-P energy: -77.094 tors. eta vs tors. theta energy: -142.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1650.910805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.910805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.910805 (E_RNA) where: Base-Base interactions energy: -1153.957 where: short stacking energy: -492.605 Base-Backbone interact. energy: -3.566 local terms energy: -493.387226 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -105.519 flat angles C4'-P-C4' energy: -94.204 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -136.920 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: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1643.757043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.757043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.757043 (E_RNA) where: Base-Base interactions energy: -1179.930 where: short stacking energy: -450.910 Base-Backbone interact. energy: -1.587 local terms energy: -462.240079 where: bonds (distance) C4'-P energy: -77.215 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -103.856 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -117.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1523.618882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.618882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.618882 (E_RNA) where: Base-Base interactions energy: -1068.571 where: short stacking energy: -462.203 Base-Backbone interact. energy: -2.164 local terms energy: -452.883392 where: bonds (distance) C4'-P energy: -86.169 bonds (distance) P-C4' energy: -82.665 flat angles C4'-P-C4' energy: -97.259 flat angles P-C4'-P energy: -66.928 tors. eta vs tors. theta energy: -119.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1407.498529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.498529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.498529 (E_RNA) where: Base-Base interactions energy: -970.848 where: short stacking energy: -403.847 Base-Backbone interact. energy: -1.815 local terms energy: -434.835582 where: bonds (distance) C4'-P energy: -69.207 bonds (distance) P-C4' energy: -93.852 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -108.102 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1341.136277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.136277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.136277 (E_RNA) where: Base-Base interactions energy: -926.759 where: short stacking energy: -386.119 Base-Backbone interact. energy: -0.047 local terms energy: -414.330346 where: bonds (distance) C4'-P energy: -79.779 bonds (distance) P-C4' energy: -87.095 flat angles C4'-P-C4' energy: -88.649 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: -106.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1272.286834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.286834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.286834 (E_RNA) where: Base-Base interactions energy: -859.410 where: short stacking energy: -378.185 Base-Backbone interact. energy: -1.058 local terms energy: -411.818929 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -82.562 flat angles C4'-P-C4' energy: -98.945 flat angles P-C4'-P energy: -52.458 tors. eta vs tors. theta energy: -96.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1189.703746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.703746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.703746 (E_RNA) where: Base-Base interactions energy: -809.521 where: short stacking energy: -320.662 Base-Backbone interact. energy: -1.312 local terms energy: -378.871014 where: bonds (distance) C4'-P energy: -66.787 bonds (distance) P-C4' energy: -78.910 flat angles C4'-P-C4' energy: -89.084 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -80.817 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: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -937.886691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.886691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.886691 (E_RNA) where: Base-Base interactions energy: -622.582 where: short stacking energy: -256.352 Base-Backbone interact. energy: -3.242 local terms energy: -312.062556 where: bonds (distance) C4'-P energy: -66.697 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -87.838 flat angles P-C4'-P energy: -40.405 tors. eta vs tors. theta energy: -42.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -679.407018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.407018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.407018 (E_RNA) where: Base-Base interactions energy: -413.048 where: short stacking energy: -188.460 Base-Backbone interact. energy: 2.435 local terms energy: -268.794862 where: bonds (distance) C4'-P energy: -85.054 bonds (distance) P-C4' energy: -65.928 flat angles C4'-P-C4' energy: -55.211 flat angles P-C4'-P energy: -52.833 tors. eta vs tors. theta energy: -9.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1739.136874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.136874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.136874 (E_RNA) where: Base-Base interactions energy: -1221.300 where: short stacking energy: -504.486 Base-Backbone interact. energy: -2.644 local terms energy: -515.192654 where: bonds (distance) C4'-P energy: -95.175 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -110.639 flat angles P-C4'-P energy: -76.045 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: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1671.643631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.643631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.643631 (E_RNA) where: Base-Base interactions energy: -1185.195 where: short stacking energy: -497.568 Base-Backbone interact. energy: -2.472 local terms energy: -483.977168 where: bonds (distance) C4'-P energy: -81.440 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -107.448 flat angles P-C4'-P energy: -74.998 tors. eta vs tors. theta energy: -141.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1635.386409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.386409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.386409 (E_RNA) where: Base-Base interactions energy: -1177.266 where: short stacking energy: -440.593 Base-Backbone interact. energy: -0.225 local terms energy: -457.895173 where: bonds (distance) C4'-P energy: -85.058 bonds (distance) P-C4' energy: -81.329 flat angles C4'-P-C4' energy: -102.151 flat angles P-C4'-P energy: -67.881 tors. eta vs tors. theta energy: -121.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1511.758542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.758542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.758542 (E_RNA) where: Base-Base interactions energy: -1066.049 where: short stacking energy: -440.299 Base-Backbone interact. energy: -0.020 local terms energy: -445.690259 where: bonds (distance) C4'-P energy: -92.369 bonds (distance) P-C4' energy: -84.817 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: -107.124 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: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1423.644580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.644580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.644580 (E_RNA) where: Base-Base interactions energy: -993.604 where: short stacking energy: -412.446 Base-Backbone interact. energy: -2.702 local terms energy: -427.337973 where: bonds (distance) C4'-P energy: -86.403 bonds (distance) P-C4' energy: -77.445 flat angles C4'-P-C4' energy: -91.138 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -108.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1369.015819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.015819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.015819 (E_RNA) where: Base-Base interactions energy: -937.319 where: short stacking energy: -378.536 Base-Backbone interact. energy: -2.922 local terms energy: -428.774516 where: bonds (distance) C4'-P energy: -89.307 bonds (distance) P-C4' energy: -87.799 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -103.532 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: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1237.340737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.340737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.340737 (E_RNA) where: Base-Base interactions energy: -843.583 where: short stacking energy: -378.816 Base-Backbone interact. energy: -4.533 local terms energy: -389.224412 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -79.505 flat angles C4'-P-C4' energy: -90.606 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -86.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1164.234316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.234316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.234316 (E_RNA) where: Base-Base interactions energy: -797.114 where: short stacking energy: -352.118 Base-Backbone interact. energy: -1.026 local terms energy: -366.093959 where: bonds (distance) C4'-P energy: -69.954 bonds (distance) P-C4' energy: -85.916 flat angles C4'-P-C4' energy: -80.915 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -75.423 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: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -919.142459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.142459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.142459 (E_RNA) where: Base-Base interactions energy: -594.257 where: short stacking energy: -275.162 Base-Backbone interact. energy: -1.159 local terms energy: -323.726764 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -77.004 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -56.172 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: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -663.638200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.638200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.638200 (E_RNA) where: Base-Base interactions energy: -384.402 where: short stacking energy: -189.857 Base-Backbone interact. energy: -1.179 local terms energy: -278.057478 where: bonds (distance) C4'-P energy: -81.379 bonds (distance) P-C4' energy: -74.686 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1719.709367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.709367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.709367 (E_RNA) where: Base-Base interactions energy: -1211.426 where: short stacking energy: -495.272 Base-Backbone interact. energy: -3.119 local terms energy: -505.164208 where: bonds (distance) C4'-P energy: -85.252 bonds (distance) P-C4' energy: -94.094 flat angles C4'-P-C4' energy: -107.955 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -141.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1681.425891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.425891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.425891 (E_RNA) where: Base-Base interactions energy: -1183.525 where: short stacking energy: -525.073 Base-Backbone interact. energy: -0.160 local terms energy: -497.740972 where: bonds (distance) C4'-P energy: -79.212 bonds (distance) P-C4' energy: -98.064 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -69.942 tors. eta vs tors. theta energy: -147.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1627.432350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.432350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.432350 (E_RNA) where: Base-Base interactions energy: -1173.019 where: short stacking energy: -442.662 Base-Backbone interact. energy: -2.658 local terms energy: -451.755335 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -93.582 flat angles P-C4'-P energy: -82.064 tors. eta vs tors. theta energy: -106.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1513.539362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.539362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.539362 (E_RNA) where: Base-Base interactions energy: -1060.224 where: short stacking energy: -463.489 Base-Backbone interact. energy: 1.610 local terms energy: -454.924649 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -81.274 flat angles C4'-P-C4' energy: -99.671 flat angles P-C4'-P energy: -67.630 tors. eta vs tors. theta energy: -120.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1439.633666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.633666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.633666 (E_RNA) where: Base-Base interactions energy: -1017.191 where: short stacking energy: -425.803 Base-Backbone interact. energy: -0.291 local terms energy: -422.151655 where: bonds (distance) C4'-P energy: -75.308 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -84.840 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: -110.046 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: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1340.713338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.713338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.713338 (E_RNA) where: Base-Base interactions energy: -917.350 where: short stacking energy: -409.450 Base-Backbone interact. energy: -1.810 local terms energy: -421.552971 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -80.098 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -107.883 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: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1240.862789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.862789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.862789 (E_RNA) where: Base-Base interactions energy: -851.461 where: short stacking energy: -371.878 Base-Backbone interact. energy: -4.168 local terms energy: -385.233824 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -88.406 flat angles C4'-P-C4' energy: -85.507 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -97.743 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: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1136.676428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.676428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.676428 (E_RNA) where: Base-Base interactions energy: -736.974 where: short stacking energy: -312.296 Base-Backbone interact. energy: -0.916 local terms energy: -398.786970 where: bonds (distance) C4'-P energy: -84.477 bonds (distance) P-C4' energy: -86.793 flat angles C4'-P-C4' energy: -92.335 flat angles P-C4'-P energy: -67.988 tors. eta vs tors. theta energy: -67.193 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: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -990.173655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.173655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.173655 (E_RNA) where: Base-Base interactions energy: -637.905 where: short stacking energy: -280.231 Base-Backbone interact. energy: -1.713 local terms energy: -350.555147 where: bonds (distance) C4'-P energy: -89.637 bonds (distance) P-C4' energy: -83.061 flat angles C4'-P-C4' energy: -70.529 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -55.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -632.498137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.498137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.498137 (E_RNA) where: Base-Base interactions energy: -342.058 where: short stacking energy: -164.984 Base-Backbone interact. energy: -1.465 local terms energy: -288.975515 where: bonds (distance) C4'-P energy: -84.382 bonds (distance) P-C4' energy: -82.871 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -9.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1743.852395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.852395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.852395 (E_RNA) where: Base-Base interactions energy: -1211.546 where: short stacking energy: -500.027 Base-Backbone interact. energy: -3.011 local terms energy: -529.295979 where: bonds (distance) C4'-P energy: -96.949 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -112.205 flat angles P-C4'-P energy: -79.480 tors. eta vs tors. theta energy: -145.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1675.369545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.369545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.369545 (E_RNA) where: Base-Base interactions energy: -1165.883 where: short stacking energy: -489.695 Base-Backbone interact. energy: -1.099 local terms energy: -508.388195 where: bonds (distance) C4'-P energy: -89.407 bonds (distance) P-C4' energy: -96.830 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -62.968 tors. eta vs tors. theta energy: -144.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1596.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.860273 (E_RNA) where: Base-Base interactions energy: -1131.686 where: short stacking energy: -428.762 Base-Backbone interact. energy: -4.340 local terms energy: -460.833424 where: bonds (distance) C4'-P energy: -88.834 bonds (distance) P-C4' energy: -86.592 flat angles C4'-P-C4' energy: -102.271 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: -109.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1492.325126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.325126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.325126 (E_RNA) where: Base-Base interactions energy: -1044.155 where: short stacking energy: -438.932 Base-Backbone interact. energy: -1.789 local terms energy: -446.380927 where: bonds (distance) C4'-P energy: -84.122 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: -112.506 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: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1443.208486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.208486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.208486 (E_RNA) where: Base-Base interactions energy: -998.480 where: short stacking energy: -441.093 Base-Backbone interact. energy: -3.638 local terms energy: -441.091043 where: bonds (distance) C4'-P energy: -84.302 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -69.193 tors. eta vs tors. theta energy: -112.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1372.812197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.812197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.812197 (E_RNA) where: Base-Base interactions energy: -926.002 where: short stacking energy: -383.209 Base-Backbone interact. energy: -3.390 local terms energy: -443.419991 where: bonds (distance) C4'-P energy: -84.015 bonds (distance) P-C4' energy: -92.037 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -70.823 tors. eta vs tors. theta energy: -101.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1199.318764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.318764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.318764 (E_RNA) where: Base-Base interactions energy: -836.292 where: short stacking energy: -351.813 Base-Backbone interact. energy: -1.708 local terms energy: -361.318388 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -78.339 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -50.795 tors. eta vs tors. theta energy: -76.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1144.758732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.758732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.758732 (E_RNA) where: Base-Base interactions energy: -780.426 where: short stacking energy: -341.966 Base-Backbone interact. energy: -0.802 local terms energy: -363.530622 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -75.218 flat angles C4'-P-C4' energy: -102.633 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -58.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1002.664277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.664277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.664277 (E_RNA) where: Base-Base interactions energy: -665.059 where: short stacking energy: -281.855 Base-Backbone interact. energy: -0.946 local terms energy: -336.659563 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -90.209 flat angles C4'-P-C4' energy: -87.203 flat angles P-C4'-P energy: -50.078 tors. eta vs tors. theta energy: -58.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -661.292613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.292613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.292613 (E_RNA) where: Base-Base interactions energy: -368.406 where: short stacking energy: -180.584 Base-Backbone interact. energy: 3.073 local terms energy: -295.959305 where: bonds (distance) C4'-P energy: -80.903 bonds (distance) P-C4' energy: -89.223 flat angles C4'-P-C4' energy: -66.628 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -9.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1724.980480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.980480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.980480 (E_RNA) where: Base-Base interactions energy: -1208.825 where: short stacking energy: -481.753 Base-Backbone interact. energy: -4.086 local terms energy: -512.069738 where: bonds (distance) C4'-P energy: -103.097 bonds (distance) P-C4' energy: -86.311 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -76.758 tors. eta vs tors. theta energy: -132.750 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: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1681.285838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.285838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.285838 (E_RNA) where: Base-Base interactions energy: -1174.582 where: short stacking energy: -496.637 Base-Backbone interact. energy: -1.055 local terms energy: -505.648956 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -97.667 flat angles C4'-P-C4' energy: -103.834 flat angles P-C4'-P energy: -70.732 tors. eta vs tors. theta energy: -140.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1625.642391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.642391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.642391 (E_RNA) where: Base-Base interactions energy: -1160.591 where: short stacking energy: -441.311 Base-Backbone interact. energy: 3.741 local terms energy: -468.792355 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -88.361 flat angles C4'-P-C4' energy: -105.063 flat angles P-C4'-P energy: -73.729 tors. eta vs tors. theta energy: -110.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1449.583306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.583306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.583306 (E_RNA) where: Base-Base interactions energy: -1007.294 where: short stacking energy: -426.407 Base-Backbone interact. energy: 0.920 local terms energy: -443.209226 where: bonds (distance) C4'-P energy: -86.634 bonds (distance) P-C4' energy: -86.661 flat angles C4'-P-C4' energy: -96.772 flat angles P-C4'-P energy: -66.808 tors. eta vs tors. theta energy: -106.335 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: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1491.371582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.371582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.371582 (E_RNA) where: Base-Base interactions energy: -1055.489 where: short stacking energy: -460.385 Base-Backbone interact. energy: -2.929 local terms energy: -432.953073 where: bonds (distance) C4'-P energy: -82.391 bonds (distance) P-C4' energy: -70.495 flat angles C4'-P-C4' energy: -93.691 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: -126.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1344.418659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.418659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.418659 (E_RNA) where: Base-Base interactions energy: -940.033 where: short stacking energy: -391.120 Base-Backbone interact. energy: -1.242 local terms energy: -403.143645 where: bonds (distance) C4'-P energy: -73.863 bonds (distance) P-C4' energy: -76.975 flat angles C4'-P-C4' energy: -91.715 flat angles P-C4'-P energy: -62.631 tors. eta vs tors. theta energy: -97.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1239.491958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.491958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.491958 (E_RNA) where: Base-Base interactions energy: -837.889 where: short stacking energy: -376.510 Base-Backbone interact. energy: -1.138 local terms energy: -400.464578 where: bonds (distance) C4'-P energy: -81.731 bonds (distance) P-C4' energy: -78.075 flat angles C4'-P-C4' energy: -87.468 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -97.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1134.648613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.648613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.648613 (E_RNA) where: Base-Base interactions energy: -768.500 where: short stacking energy: -327.763 Base-Backbone interact. energy: -0.022 local terms energy: -366.127157 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -93.516 flat angles C4'-P-C4' energy: -81.584 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -66.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -999.480300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.480300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.480300 (E_RNA) where: Base-Base interactions energy: -663.288 where: short stacking energy: -305.664 Base-Backbone interact. energy: -2.642 local terms energy: -333.551040 where: bonds (distance) C4'-P energy: -66.168 bonds (distance) P-C4' energy: -61.501 flat angles C4'-P-C4' energy: -90.787 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -64.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -670.182662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.182662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.182662 (E_RNA) where: Base-Base interactions energy: -399.848 where: short stacking energy: -181.853 Base-Backbone interact. energy: -2.686 local terms energy: -267.648257 where: bonds (distance) C4'-P energy: -79.728 bonds (distance) P-C4' energy: -65.639 flat angles C4'-P-C4' energy: -50.824 flat angles P-C4'-P energy: -50.396 tors. eta vs tors. theta energy: -21.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1719.585570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.585570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.585570 (E_RNA) where: Base-Base interactions energy: -1207.034 where: short stacking energy: -505.120 Base-Backbone interact. energy: -1.385 local terms energy: -511.167061 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -95.435 flat angles C4'-P-C4' energy: -110.831 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: -140.924 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: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1672.353029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.353029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.353029 (E_RNA) where: Base-Base interactions energy: -1170.938 where: short stacking energy: -499.856 Base-Backbone interact. energy: -0.575 local terms energy: -500.840081 where: bonds (distance) C4'-P energy: -101.774 bonds (distance) P-C4' energy: -87.996 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -135.993 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1628.675512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.675512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.675512 (E_RNA) where: Base-Base interactions energy: -1169.633 where: short stacking energy: -454.421 Base-Backbone interact. energy: -0.936 local terms energy: -458.106293 where: bonds (distance) C4'-P energy: -84.130 bonds (distance) P-C4' energy: -86.228 flat angles C4'-P-C4' energy: -103.312 flat angles P-C4'-P energy: -71.025 tors. eta vs tors. theta energy: -113.411 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: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1464.970217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.970217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.970217 (E_RNA) where: Base-Base interactions energy: -1010.218 where: short stacking energy: -424.273 Base-Backbone interact. energy: -4.125 local terms energy: -450.628037 where: bonds (distance) C4'-P energy: -91.452 bonds (distance) P-C4' energy: -84.204 flat angles C4'-P-C4' energy: -109.728 flat angles P-C4'-P energy: -55.698 tors. eta vs tors. theta energy: -109.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1427.444090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.444090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.444090 (E_RNA) where: Base-Base interactions energy: -1002.670 where: short stacking energy: -405.011 Base-Backbone interact. energy: 0.892 local terms energy: -425.666493 where: bonds (distance) C4'-P energy: -81.473 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -97.249 flat angles P-C4'-P energy: -54.333 tors. eta vs tors. theta energy: -103.440 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1349.457379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.457379 (E_RNA) where: Base-Base interactions energy: -922.420 where: short stacking energy: -397.444 Base-Backbone interact. energy: -3.480 local terms energy: -423.558178 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -87.978 flat angles C4'-P-C4' energy: -89.305 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -110.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1240.890303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.890303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.890303 (E_RNA) where: Base-Base interactions energy: -854.082 where: short stacking energy: -353.353 Base-Backbone interact. energy: 0.643 local terms energy: -387.451908 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -88.539 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -79.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1184.337177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.337177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.337177 (E_RNA) where: Base-Base interactions energy: -811.598 where: short stacking energy: -354.450 Base-Backbone interact. energy: 2.437 local terms energy: -375.176676 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -86.003 flat angles C4'-P-C4' energy: -79.199 flat angles P-C4'-P energy: -56.528 tors. eta vs tors. theta energy: -73.134 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: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -979.931223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.931223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.931223 (E_RNA) where: Base-Base interactions energy: -635.739 where: short stacking energy: -288.793 Base-Backbone interact. energy: 0.057 local terms energy: -344.249157 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -85.358 flat angles C4'-P-C4' energy: -76.110 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -60.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -666.484637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.484637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.484637 (E_RNA) where: Base-Base interactions energy: -382.505 where: short stacking energy: -201.665 Base-Backbone interact. energy: -0.893 local terms energy: -283.086686 where: bonds (distance) C4'-P energy: -62.923 bonds (distance) P-C4' energy: -69.468 flat angles C4'-P-C4' energy: -76.866 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -26.629 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1732.304140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.304140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.304140 (E_RNA) where: Base-Base interactions energy: -1222.773 where: short stacking energy: -506.305 Base-Backbone interact. energy: -0.899 local terms energy: -508.631503 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -94.642 flat angles C4'-P-C4' energy: -113.214 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: -141.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1675.642789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.642789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.642789 (E_RNA) where: Base-Base interactions energy: -1178.214 where: short stacking energy: -501.315 Base-Backbone interact. energy: 3.769 local terms energy: -501.197857 where: bonds (distance) C4'-P energy: -84.534 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -110.651 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -145.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1620.663615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.663615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.663615 (E_RNA) where: Base-Base interactions energy: -1157.075 where: short stacking energy: -458.621 Base-Backbone interact. energy: -2.689 local terms energy: -460.898906 where: bonds (distance) C4'-P energy: -88.399 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -96.511 flat angles P-C4'-P energy: -68.531 tors. eta vs tors. theta energy: -115.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1496.579857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.579857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.579857 (E_RNA) where: Base-Base interactions energy: -1035.495 where: short stacking energy: -437.407 Base-Backbone interact. energy: -1.406 local terms energy: -459.678040 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -85.730 flat angles C4'-P-C4' energy: -93.367 flat angles P-C4'-P energy: -71.189 tors. eta vs tors. theta energy: -107.508 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: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1444.041412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.041412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.041412 (E_RNA) where: Base-Base interactions energy: -1035.364 where: short stacking energy: -419.068 Base-Backbone interact. energy: -1.311 local terms energy: -407.366085 where: bonds (distance) C4'-P energy: -85.716 bonds (distance) P-C4' energy: -84.775 flat angles C4'-P-C4' energy: -82.766 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -105.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1358.926532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.926532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.926532 (E_RNA) where: Base-Base interactions energy: -941.928 where: short stacking energy: -389.499 Base-Backbone interact. energy: -2.918 local terms energy: -414.080602 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -85.450 flat angles C4'-P-C4' energy: -90.898 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -107.235 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: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1257.594199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.594199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.594199 (E_RNA) where: Base-Base interactions energy: -873.579 where: short stacking energy: -367.726 Base-Backbone interact. energy: -2.614 local terms energy: -381.401311 where: bonds (distance) C4'-P energy: -69.417 bonds (distance) P-C4' energy: -84.962 flat angles C4'-P-C4' energy: -89.023 flat angles P-C4'-P energy: -55.320 tors. eta vs tors. theta energy: -82.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1150.545903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.545903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.545903 (E_RNA) where: Base-Base interactions energy: -777.495 where: short stacking energy: -332.752 Base-Backbone interact. energy: -0.938 local terms energy: -372.113155 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -82.127 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -77.556 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: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -967.854566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.854566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.854566 (E_RNA) where: Base-Base interactions energy: -647.032 where: short stacking energy: -281.090 Base-Backbone interact. energy: 3.552 local terms energy: -324.373997 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -81.388 flat angles C4'-P-C4' energy: -65.756 flat angles P-C4'-P energy: -50.639 tors. eta vs tors. theta energy: -59.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -667.469398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.469398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.469398 (E_RNA) where: Base-Base interactions energy: -398.379 where: short stacking energy: -216.327 Base-Backbone interact. energy: -1.149 local terms energy: -267.941102 where: bonds (distance) C4'-P energy: -65.708 bonds (distance) P-C4' energy: -76.286 flat angles C4'-P-C4' energy: -56.656 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -20.253 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: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1726.179918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.179918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.179918 (E_RNA) where: Base-Base interactions energy: -1213.976 where: short stacking energy: -491.541 Base-Backbone interact. energy: -2.477 local terms energy: -509.726693 where: bonds (distance) C4'-P energy: -90.846 bonds (distance) P-C4' energy: -100.742 flat angles C4'-P-C4' energy: -104.158 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: -144.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1674.598715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.598715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.598715 (E_RNA) where: Base-Base interactions energy: -1158.237 where: short stacking energy: -498.157 Base-Backbone interact. energy: -2.977 local terms energy: -513.384604 where: bonds (distance) C4'-P energy: -85.856 bonds (distance) P-C4' energy: -90.756 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -83.499 tors. eta vs tors. theta energy: -141.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1600.441428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.441428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.441428 (E_RNA) where: Base-Base interactions energy: -1134.783 where: short stacking energy: -444.897 Base-Backbone interact. energy: -1.325 local terms energy: -464.333598 where: bonds (distance) C4'-P energy: -82.959 bonds (distance) P-C4' energy: -97.894 flat angles C4'-P-C4' energy: -105.745 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -120.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1552.569721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.569721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.569721 (E_RNA) where: Base-Base interactions energy: -1083.749 where: short stacking energy: -462.534 Base-Backbone interact. energy: -4.791 local terms energy: -464.029684 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -95.493 flat angles C4'-P-C4' energy: -91.416 flat angles P-C4'-P energy: -67.424 tors. eta vs tors. theta energy: -115.385 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1456.201280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.201280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.201280 (E_RNA) where: Base-Base interactions energy: -1043.338 where: short stacking energy: -444.590 Base-Backbone interact. energy: 2.069 local terms energy: -414.931746 where: bonds (distance) C4'-P energy: -78.932 bonds (distance) P-C4' energy: -82.461 flat angles C4'-P-C4' energy: -82.258 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -110.653 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: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1331.714993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.714993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.714993 (E_RNA) where: Base-Base interactions energy: -938.577 where: short stacking energy: -387.412 Base-Backbone interact. energy: -1.975 local terms energy: -391.163237 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -70.613 flat angles C4'-P-C4' energy: -93.110 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -87.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1300.129754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.129754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.129754 (E_RNA) where: Base-Base interactions energy: -902.490 where: short stacking energy: -371.494 Base-Backbone interact. energy: -2.083 local terms energy: -395.556818 where: bonds (distance) C4'-P energy: -72.796 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -91.831 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -90.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1136.812118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.812118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.812118 (E_RNA) where: Base-Base interactions energy: -770.752 where: short stacking energy: -325.094 Base-Backbone interact. energy: -3.114 local terms energy: -362.946108 where: bonds (distance) C4'-P energy: -71.103 bonds (distance) P-C4' energy: -68.162 flat angles C4'-P-C4' energy: -96.024 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: -70.197 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -891.732231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.732231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.732231 (E_RNA) where: Base-Base interactions energy: -568.284 where: short stacking energy: -265.866 Base-Backbone interact. energy: 0.016 local terms energy: -323.463842 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -61.787 flat angles C4'-P-C4' energy: -87.635 flat angles P-C4'-P energy: -48.541 tors. eta vs tors. theta energy: -57.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -652.902709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.902709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.902709 (E_RNA) where: Base-Base interactions energy: -384.389 where: short stacking energy: -195.178 Base-Backbone interact. energy: 2.233 local terms energy: -270.747260 where: bonds (distance) C4'-P energy: -61.369 bonds (distance) P-C4' energy: -79.817 flat angles C4'-P-C4' energy: -70.734 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -23.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1732.298053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.298053 (E_RNA) where: Base-Base interactions energy: -1222.599 where: short stacking energy: -498.891 Base-Backbone interact. energy: -3.229 local terms energy: -506.470379 where: bonds (distance) C4'-P energy: -83.732 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -144.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1691.295962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.295962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.295962 (E_RNA) where: Base-Base interactions energy: -1173.815 where: short stacking energy: -495.874 Base-Backbone interact. energy: -4.384 local terms energy: -513.097402 where: bonds (distance) C4'-P energy: -95.385 bonds (distance) P-C4' energy: -96.135 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -142.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1563.619116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.619116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.619116 (E_RNA) where: Base-Base interactions energy: -1117.745 where: short stacking energy: -431.832 Base-Backbone interact. energy: -1.111 local terms energy: -444.762789 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -85.823 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -67.229 tors. eta vs tors. theta energy: -107.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1554.205479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.205479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.205479 (E_RNA) where: Base-Base interactions energy: -1089.659 where: short stacking energy: -434.143 Base-Backbone interact. energy: -3.294 local terms energy: -461.251756 where: bonds (distance) C4'-P energy: -86.512 bonds (distance) P-C4' energy: -92.174 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -65.474 tors. eta vs tors. theta energy: -111.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1453.361520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.361520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.361520 (E_RNA) where: Base-Base interactions energy: -1027.260 where: short stacking energy: -422.897 Base-Backbone interact. energy: -0.792 local terms energy: -425.310387 where: bonds (distance) C4'-P energy: -79.140 bonds (distance) P-C4' energy: -81.831 flat angles C4'-P-C4' energy: -90.517 flat angles P-C4'-P energy: -67.571 tors. eta vs tors. theta energy: -106.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1369.869075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.869075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.869075 (E_RNA) where: Base-Base interactions energy: -968.236 where: short stacking energy: -409.171 Base-Backbone interact. energy: 1.079 local terms energy: -402.712296 where: bonds (distance) C4'-P energy: -80.846 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -82.651 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: -104.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1270.154652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.154652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.154652 (E_RNA) where: Base-Base interactions energy: -863.360 where: short stacking energy: -348.416 Base-Backbone interact. energy: -1.701 local terms energy: -405.093391 where: bonds (distance) C4'-P energy: -84.369 bonds (distance) P-C4' energy: -88.044 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -89.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1166.873723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.873723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.873723 (E_RNA) where: Base-Base interactions energy: -790.840 where: short stacking energy: -345.693 Base-Backbone interact. energy: -1.044 local terms energy: -374.988812 where: bonds (distance) C4'-P energy: -89.367 bonds (distance) P-C4' energy: -68.143 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -80.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -899.543823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.543823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.543823 (E_RNA) where: Base-Base interactions energy: -562.775 where: short stacking energy: -270.865 Base-Backbone interact. energy: -3.553 local terms energy: -333.216223 where: bonds (distance) C4'-P energy: -66.719 bonds (distance) P-C4' energy: -88.371 flat angles C4'-P-C4' energy: -78.351 flat angles P-C4'-P energy: -47.675 tors. eta vs tors. theta energy: -52.100 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -618.471464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.471464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.471464 (E_RNA) where: Base-Base interactions energy: -341.710 where: short stacking energy: -185.850 Base-Backbone interact. energy: 1.567 local terms energy: -278.328050 where: bonds (distance) C4'-P energy: -84.356 bonds (distance) P-C4' energy: -70.802 flat angles C4'-P-C4' energy: -59.743 flat angles P-C4'-P energy: -44.017 tors. eta vs tors. theta energy: -19.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1760.663956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.663956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.663956 (E_RNA) where: Base-Base interactions energy: -1251.609 where: short stacking energy: -510.811 Base-Backbone interact. energy: 3.673 local terms energy: -512.727257 where: bonds (distance) C4'-P energy: -97.101 bonds (distance) P-C4' energy: -94.231 flat angles C4'-P-C4' energy: -102.945 flat angles P-C4'-P energy: -78.597 tors. eta vs tors. theta energy: -139.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1682.264824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.264824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.264824 (E_RNA) where: Base-Base interactions energy: -1160.977 where: short stacking energy: -496.669 Base-Backbone interact. energy: -2.305 local terms energy: -518.983227 where: bonds (distance) C4'-P energy: -95.554 bonds (distance) P-C4' energy: -94.063 flat angles C4'-P-C4' energy: -105.967 flat angles P-C4'-P energy: -79.170 tors. eta vs tors. theta energy: -144.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1589.039693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.039693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.039693 (E_RNA) where: Base-Base interactions energy: -1128.068 where: short stacking energy: -446.552 Base-Backbone interact. energy: -1.007 local terms energy: -459.964899 where: bonds (distance) C4'-P energy: -83.466 bonds (distance) P-C4' energy: -89.852 flat angles C4'-P-C4' energy: -103.839 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -110.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1503.918942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.918942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.918942 (E_RNA) where: Base-Base interactions energy: -1063.015 where: short stacking energy: -449.337 Base-Backbone interact. energy: 0.755 local terms energy: -441.658375 where: bonds (distance) C4'-P energy: -74.098 bonds (distance) P-C4' energy: -96.238 flat angles C4'-P-C4' energy: -89.873 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -118.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1413.826483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.826483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.826483 (E_RNA) where: Base-Base interactions energy: -985.138 where: short stacking energy: -405.003 Base-Backbone interact. energy: -3.339 local terms energy: -425.349216 where: bonds (distance) C4'-P energy: -78.145 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -88.645 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -107.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1295.147467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.147467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.147467 (E_RNA) where: Base-Base interactions energy: -895.345 where: short stacking energy: -392.780 Base-Backbone interact. energy: -1.938 local terms energy: -397.864153 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -89.526 flat angles C4'-P-C4' energy: -80.208 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -87.087 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: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1257.553292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.553292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.553292 (E_RNA) where: Base-Base interactions energy: -836.143 where: short stacking energy: -361.521 Base-Backbone interact. energy: 0.591 local terms energy: -422.001204 where: bonds (distance) C4'-P energy: -83.336 bonds (distance) P-C4' energy: -101.778 flat angles C4'-P-C4' energy: -83.491 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -94.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1215.380185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.380185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.380185 (E_RNA) where: Base-Base interactions energy: -841.549 where: short stacking energy: -354.582 Base-Backbone interact. energy: -2.776 local terms energy: -371.054463 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -93.810 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -81.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -892.632506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.632506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.632506 (E_RNA) where: Base-Base interactions energy: -559.726 where: short stacking energy: -266.575 Base-Backbone interact. energy: -0.687 local terms energy: -332.219243 where: bonds (distance) C4'-P energy: -72.893 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -78.058 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -40.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -579.128327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.128327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.128327 (E_RNA) where: Base-Base interactions energy: -304.434 where: short stacking energy: -170.911 Base-Backbone interact. energy: -4.932 local terms energy: -269.762658 where: bonds (distance) C4'-P energy: -86.172 bonds (distance) P-C4' energy: -73.676 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: -13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1730.413923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.413923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.413923 (E_RNA) where: Base-Base interactions energy: -1224.349 where: short stacking energy: -516.253 Base-Backbone interact. energy: -3.810 local terms energy: -502.255048 where: bonds (distance) C4'-P energy: -81.750 bonds (distance) P-C4' energy: -98.076 flat angles C4'-P-C4' energy: -100.329 flat angles P-C4'-P energy: -76.167 tors. eta vs tors. theta energy: -145.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1695.243280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.243280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.243280 (E_RNA) where: Base-Base interactions energy: -1194.351 where: short stacking energy: -510.612 Base-Backbone interact. energy: -0.988 local terms energy: -499.905117 where: bonds (distance) C4'-P energy: -85.834 bonds (distance) P-C4' energy: -98.336 flat angles C4'-P-C4' energy: -105.113 flat angles P-C4'-P energy: -66.920 tors. eta vs tors. theta energy: -143.702 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: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1590.018864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.018864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.018864 (E_RNA) where: Base-Base interactions energy: -1131.558 where: short stacking energy: -458.639 Base-Backbone interact. energy: -0.352 local terms energy: -458.109374 where: bonds (distance) C4'-P energy: -89.792 bonds (distance) P-C4' energy: -87.131 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -115.519 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: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1497.675961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.675961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.675961 (E_RNA) where: Base-Base interactions energy: -1044.503 where: short stacking energy: -438.688 Base-Backbone interact. energy: -3.432 local terms energy: -449.740493 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -103.510 flat angles C4'-P-C4' energy: -93.143 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -121.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1435.093339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.093339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.093339 (E_RNA) where: Base-Base interactions energy: -1001.934 where: short stacking energy: -418.710 Base-Backbone interact. energy: 0.593 local terms energy: -433.752568 where: bonds (distance) C4'-P energy: -76.116 bonds (distance) P-C4' energy: -76.610 flat angles C4'-P-C4' energy: -100.010 flat angles P-C4'-P energy: -75.159 tors. eta vs tors. theta energy: -105.858 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: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1318.018607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.018607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.018607 (E_RNA) where: Base-Base interactions energy: -894.558 where: short stacking energy: -382.513 Base-Backbone interact. energy: -0.413 local terms energy: -423.047657 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -88.660 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -103.186 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: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1235.390674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.390674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.390674 (E_RNA) where: Base-Base interactions energy: -865.256 where: short stacking energy: -367.864 Base-Backbone interact. energy: -3.657 local terms energy: -366.477533 where: bonds (distance) C4'-P energy: -80.448 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -81.077 flat angles P-C4'-P energy: -59.300 tors. eta vs tors. theta energy: -78.366 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1246.742406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.742406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.742406 (E_RNA) where: Base-Base interactions energy: -849.552 where: short stacking energy: -350.229 Base-Backbone interact. energy: -3.108 local terms energy: -394.082532 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -89.637 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -90.207 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: 331 Temperature: 1.300000 Total energy: -928.899767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.899767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.899767 (E_RNA) where: Base-Base interactions energy: -601.054 where: short stacking energy: -248.662 Base-Backbone interact. energy: -1.191 local terms energy: -326.654931 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -76.029 flat angles C4'-P-C4' energy: -71.203 flat angles P-C4'-P energy: -54.150 tors. eta vs tors. theta energy: -45.339 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: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -573.396820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.396820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.396820 (E_RNA) where: Base-Base interactions energy: -272.099 where: short stacking energy: -150.017 Base-Backbone interact. energy: -1.818 local terms energy: -299.479329 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -86.010 flat angles C4'-P-C4' energy: -77.608 flat angles P-C4'-P energy: -51.365 tors. eta vs tors. theta energy: -14.838 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: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1726.932762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.932762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.932762 (E_RNA) where: Base-Base interactions energy: -1208.062 where: short stacking energy: -503.393 Base-Backbone interact. energy: -3.287 local terms energy: -515.584355 where: bonds (distance) C4'-P energy: -93.877 bonds (distance) P-C4' energy: -93.553 flat angles C4'-P-C4' energy: -113.870 flat angles P-C4'-P energy: -76.031 tors. eta vs tors. theta energy: -138.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1688.423996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.423996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.423996 (E_RNA) where: Base-Base interactions energy: -1175.273 where: short stacking energy: -509.501 Base-Backbone interact. energy: -4.366 local terms energy: -508.785248 where: bonds (distance) C4'-P energy: -90.697 bonds (distance) P-C4' energy: -98.002 flat angles C4'-P-C4' energy: -109.847 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -140.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1567.527985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.527985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.527985 (E_RNA) where: Base-Base interactions energy: -1138.305 where: short stacking energy: -444.991 Base-Backbone interact. energy: -1.104 local terms energy: -428.119066 where: bonds (distance) C4'-P energy: -82.619 bonds (distance) P-C4' energy: -87.104 flat angles C4'-P-C4' energy: -93.478 flat angles P-C4'-P energy: -58.882 tors. eta vs tors. theta energy: -106.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1526.183561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.183561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.183561 (E_RNA) where: Base-Base interactions energy: -1061.848 where: short stacking energy: -442.449 Base-Backbone interact. energy: -3.803 local terms energy: -460.533007 where: bonds (distance) C4'-P energy: -82.277 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -66.639 tors. eta vs tors. theta energy: -118.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1446.961992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.961992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.961992 (E_RNA) where: Base-Base interactions energy: -1013.528 where: short stacking energy: -427.450 Base-Backbone interact. energy: 1.993 local terms energy: -435.426897 where: bonds (distance) C4'-P energy: -84.346 bonds (distance) P-C4' energy: -99.081 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -45.464 tors. eta vs tors. theta energy: -105.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1354.773001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.773001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.773001 (E_RNA) where: Base-Base interactions energy: -913.650 where: short stacking energy: -409.864 Base-Backbone interact. energy: -0.991 local terms energy: -440.132426 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -97.556 flat angles P-C4'-P energy: -54.857 tors. eta vs tors. theta energy: -117.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1200.673458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.673458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.673458 (E_RNA) where: Base-Base interactions energy: -800.032 where: short stacking energy: -337.991 Base-Backbone interact. energy: -0.598 local terms energy: -400.043481 where: bonds (distance) C4'-P energy: -75.326 bonds (distance) P-C4' energy: -90.723 flat angles C4'-P-C4' energy: -87.153 flat angles P-C4'-P energy: -58.433 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: 8, replica: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1198.149560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.149560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.149560 (E_RNA) where: Base-Base interactions energy: -827.564 where: short stacking energy: -333.568 Base-Backbone interact. energy: -1.598 local terms energy: -368.987428 where: bonds (distance) C4'-P energy: -77.777 bonds (distance) P-C4' energy: -70.116 flat angles C4'-P-C4' energy: -77.102 flat angles P-C4'-P energy: -60.351 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -926.741088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.741088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.741088 (E_RNA) where: Base-Base interactions energy: -593.639 where: short stacking energy: -256.798 Base-Backbone interact. energy: -0.271 local terms energy: -332.831803 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -70.761 flat angles P-C4'-P energy: -55.389 tors. eta vs tors. theta energy: -55.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -621.520953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.520953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.520953 (E_RNA) where: Base-Base interactions energy: -334.430 where: short stacking energy: -160.697 Base-Backbone interact. energy: -0.882 local terms energy: -286.209267 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -82.388 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -0.269 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1752.190240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.190240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.190240 (E_RNA) where: Base-Base interactions energy: -1241.326 where: short stacking energy: -508.354 Base-Backbone interact. energy: -4.524 local terms energy: -506.340289 where: bonds (distance) C4'-P energy: -83.756 bonds (distance) P-C4' energy: -99.503 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -72.451 tors. eta vs tors. theta energy: -139.187 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: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1670.891602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.891602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.891602 (E_RNA) where: Base-Base interactions energy: -1158.276 where: short stacking energy: -488.660 Base-Backbone interact. energy: -3.110 local terms energy: -509.504705 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -94.803 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -140.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1608.874285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.874285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.874285 (E_RNA) where: Base-Base interactions energy: -1139.476 where: short stacking energy: -431.949 Base-Backbone interact. energy: -3.582 local terms energy: -465.816829 where: bonds (distance) C4'-P energy: -99.665 bonds (distance) P-C4' energy: -97.048 flat angles C4'-P-C4' energy: -96.713 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -104.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1533.532366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.532366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.532366 (E_RNA) where: Base-Base interactions energy: -1077.046 where: short stacking energy: -454.151 Base-Backbone interact. energy: -3.128 local terms energy: -453.358452 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -94.987 flat angles C4'-P-C4' energy: -111.970 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -116.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1413.940092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.940092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.940092 (E_RNA) where: Base-Base interactions energy: -985.521 where: short stacking energy: -419.567 Base-Backbone interact. energy: -0.589 local terms energy: -427.830349 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -92.073 flat angles C4'-P-C4' energy: -98.193 flat angles P-C4'-P energy: -53.851 tors. eta vs tors. theta energy: -103.618 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: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1309.561407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.561407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.561407 (E_RNA) where: Base-Base interactions energy: -882.908 where: short stacking energy: -391.818 Base-Backbone interact. energy: -1.812 local terms energy: -424.841629 where: bonds (distance) C4'-P energy: -81.040 bonds (distance) P-C4' energy: -87.926 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -54.066 tors. eta vs tors. theta energy: -109.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1250.492469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.492469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.492469 (E_RNA) where: Base-Base interactions energy: -867.523 where: short stacking energy: -378.329 Base-Backbone interact. energy: -0.958 local terms energy: -382.010952 where: bonds (distance) C4'-P energy: -80.904 bonds (distance) P-C4' energy: -84.553 flat angles C4'-P-C4' energy: -77.213 flat angles P-C4'-P energy: -46.764 tors. eta vs tors. theta energy: -92.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1183.525087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.525087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.525087 (E_RNA) where: Base-Base interactions energy: -807.005 where: short stacking energy: -320.622 Base-Backbone interact. energy: -1.170 local terms energy: -375.350175 where: bonds (distance) C4'-P energy: -78.879 bonds (distance) P-C4' energy: -76.145 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -44.467 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: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -878.740175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.740175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.740175 (E_RNA) where: Base-Base interactions energy: -568.893 where: short stacking energy: -242.781 Base-Backbone interact. energy: -0.825 local terms energy: -309.022080 where: bonds (distance) C4'-P energy: -75.518 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -72.258 flat angles P-C4'-P energy: -41.824 tors. eta vs tors. theta energy: -35.963 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: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -625.471770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.471770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.471770 (E_RNA) where: Base-Base interactions energy: -361.084 where: short stacking energy: -182.439 Base-Backbone interact. energy: 0.017 local terms energy: -264.404985 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -49.880 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -24.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1739.750314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.750314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.750314 (E_RNA) where: Base-Base interactions energy: -1231.901 where: short stacking energy: -515.965 Base-Backbone interact. energy: -3.895 local terms energy: -503.954298 where: bonds (distance) C4'-P energy: -108.030 bonds (distance) P-C4' energy: -91.021 flat angles C4'-P-C4' energy: -99.985 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -138.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1702.597392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.597392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.597392 (E_RNA) where: Base-Base interactions energy: -1183.122 where: short stacking energy: -515.477 Base-Backbone interact. energy: -3.265 local terms energy: -516.209759 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -112.756 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -141.971 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1552.851538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.851538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.851538 (E_RNA) where: Base-Base interactions energy: -1070.649 where: short stacking energy: -445.806 Base-Backbone interact. energy: -4.580 local terms energy: -477.622247 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -94.110 flat angles C4'-P-C4' energy: -105.635 flat angles P-C4'-P energy: -73.661 tors. eta vs tors. theta energy: -116.143 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: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1516.336630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.336630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.336630 (E_RNA) where: Base-Base interactions energy: -1083.781 where: short stacking energy: -408.086 Base-Backbone interact. energy: -5.291 local terms energy: -427.264905 where: bonds (distance) C4'-P energy: -77.297 bonds (distance) P-C4' energy: -88.967 flat angles C4'-P-C4' energy: -90.348 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -98.010 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: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1403.233106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.233106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.233106 (E_RNA) where: Base-Base interactions energy: -974.628 where: short stacking energy: -411.180 Base-Backbone interact. energy: -1.274 local terms energy: -427.330660 where: bonds (distance) C4'-P energy: -84.646 bonds (distance) P-C4' energy: -82.341 flat angles C4'-P-C4' energy: -102.981 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -92.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1317.287796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.287796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.287796 (E_RNA) where: Base-Base interactions energy: -890.526 where: short stacking energy: -381.255 Base-Backbone interact. energy: -1.948 local terms energy: -424.814119 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -95.731 flat angles C4'-P-C4' energy: -91.863 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -102.989 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: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1217.121436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.121436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.121436 (E_RNA) where: Base-Base interactions energy: -815.839 where: short stacking energy: -329.151 Base-Backbone interact. energy: -4.011 local terms energy: -397.271851 where: bonds (distance) C4'-P energy: -75.684 bonds (distance) P-C4' energy: -90.166 flat angles C4'-P-C4' energy: -87.279 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -81.106 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: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1191.005405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.005405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.005405 (E_RNA) where: Base-Base interactions energy: -795.571 where: short stacking energy: -344.241 Base-Backbone interact. energy: -3.074 local terms energy: -392.361028 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -79.908 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -92.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -848.516057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.516057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.516057 (E_RNA) where: Base-Base interactions energy: -543.551 where: short stacking energy: -266.705 Base-Backbone interact. energy: 1.782 local terms energy: -306.746755 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -80.399 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -36.330 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: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -609.615820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.615820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.615820 (E_RNA) where: Base-Base interactions energy: -326.565 where: short stacking energy: -146.043 Base-Backbone interact. energy: -0.989 local terms energy: -282.060959 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -78.045 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -40.406 tors. eta vs tors. theta energy: -2.850 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1741.973122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.973122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.973122 (E_RNA) where: Base-Base interactions energy: -1215.296 where: short stacking energy: -503.158 Base-Backbone interact. energy: -3.411 local terms energy: -523.266582 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -99.469 flat angles C4'-P-C4' energy: -105.504 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -143.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1650.564849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.564849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.564849 (E_RNA) where: Base-Base interactions energy: -1161.070 where: short stacking energy: -517.049 Base-Backbone interact. energy: -1.812 local terms energy: -487.683049 where: bonds (distance) C4'-P energy: -77.903 bonds (distance) P-C4' energy: -89.797 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -62.075 tors. eta vs tors. theta energy: -138.591 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: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1531.642846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.642846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.642846 (E_RNA) where: Base-Base interactions energy: -1067.614 where: short stacking energy: -437.080 Base-Backbone interact. energy: -4.523 local terms energy: -459.506626 where: bonds (distance) C4'-P energy: -86.686 bonds (distance) P-C4' energy: -99.222 flat angles C4'-P-C4' energy: -98.778 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -115.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1494.738676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.738676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.738676 (E_RNA) where: Base-Base interactions energy: -1037.199 where: short stacking energy: -435.156 Base-Backbone interact. energy: 4.398 local terms energy: -461.937574 where: bonds (distance) C4'-P energy: -98.229 bonds (distance) P-C4' energy: -82.456 flat angles C4'-P-C4' energy: -102.353 flat angles P-C4'-P energy: -67.749 tors. eta vs tors. theta energy: -111.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1443.851634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.851634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.851634 (E_RNA) where: Base-Base interactions energy: -1023.965 where: short stacking energy: -418.841 Base-Backbone interact. energy: -3.360 local terms energy: -416.526714 where: bonds (distance) C4'-P energy: -77.261 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -101.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1324.318330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.318330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.318330 (E_RNA) where: Base-Base interactions energy: -898.233 where: short stacking energy: -392.590 Base-Backbone interact. energy: -0.349 local terms energy: -425.735562 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -95.742 flat angles C4'-P-C4' energy: -84.957 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -114.881 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: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1259.847890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.847890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.847890 (E_RNA) where: Base-Base interactions energy: -878.937 where: short stacking energy: -372.206 Base-Backbone interact. energy: -0.426 local terms energy: -380.485107 where: bonds (distance) C4'-P energy: -78.421 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -78.190 flat angles P-C4'-P energy: -56.250 tors. eta vs tors. theta energy: -86.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1222.261890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.261890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.261890 (E_RNA) where: Base-Base interactions energy: -838.442 where: short stacking energy: -364.029 Base-Backbone interact. energy: -0.589 local terms energy: -383.231484 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -93.887 flat angles C4'-P-C4' energy: -86.478 flat angles P-C4'-P energy: -48.449 tors. eta vs tors. theta energy: -84.081 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -878.139381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.139381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.139381 (E_RNA) where: Base-Base interactions energy: -563.413 where: short stacking energy: -241.738 Base-Backbone interact. energy: -0.810 local terms energy: -313.916307 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -78.828 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -37.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -625.137718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.137718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.137718 (E_RNA) where: Base-Base interactions energy: -338.761 where: short stacking energy: -189.655 Base-Backbone interact. energy: 0.459 local terms energy: -286.836449 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -94.309 flat angles C4'-P-C4' energy: -75.822 flat angles P-C4'-P energy: -31.506 tors. eta vs tors. theta energy: -16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1738.188690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.188690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.188690 (E_RNA) where: Base-Base interactions energy: -1225.664 where: short stacking energy: -495.811 Base-Backbone interact. energy: 1.314 local terms energy: -513.838324 where: bonds (distance) C4'-P energy: -96.120 bonds (distance) P-C4' energy: -98.106 flat angles C4'-P-C4' energy: -108.761 flat angles P-C4'-P energy: -71.582 tors. eta vs tors. theta energy: -139.270 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: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1637.619106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.619106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.619106 (E_RNA) where: Base-Base interactions energy: -1152.286 where: short stacking energy: -506.898 Base-Backbone interact. energy: 0.462 local terms energy: -485.795304 where: bonds (distance) C4'-P energy: -75.688 bonds (distance) P-C4' energy: -93.173 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -139.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1540.596477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.596477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.596477 (E_RNA) where: Base-Base interactions energy: -1068.656 where: short stacking energy: -459.056 Base-Backbone interact. energy: -1.689 local terms energy: -470.251120 where: bonds (distance) C4'-P energy: -87.854 bonds (distance) P-C4' energy: -87.143 flat angles C4'-P-C4' energy: -107.073 flat angles P-C4'-P energy: -65.604 tors. eta vs tors. theta energy: -122.577 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: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1512.426165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.426165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.426165 (E_RNA) where: Base-Base interactions energy: -1060.801 where: short stacking energy: -453.407 Base-Backbone interact. energy: 0.054 local terms energy: -451.679764 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -77.858 flat angles C4'-P-C4' energy: -100.445 flat angles P-C4'-P energy: -76.227 tors. eta vs tors. theta energy: -117.330 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: 336 Temperature: 1.100000 Total energy: -1432.016095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.016095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.016095 (E_RNA) where: Base-Base interactions energy: -1005.613 where: short stacking energy: -401.487 Base-Backbone interact. energy: -2.421 local terms energy: -423.982910 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -80.693 flat angles C4'-P-C4' energy: -88.911 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -100.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1296.717709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.717709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.717709 (E_RNA) where: Base-Base interactions energy: -899.610 where: short stacking energy: -391.231 Base-Backbone interact. energy: 2.525 local terms energy: -399.632197 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -80.422 flat angles C4'-P-C4' energy: -88.012 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -99.743 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: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1265.742876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.742876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.742876 (E_RNA) where: Base-Base interactions energy: -872.626 where: short stacking energy: -393.073 Base-Backbone interact. energy: 0.741 local terms energy: -393.857523 where: bonds (distance) C4'-P energy: -65.641 bonds (distance) P-C4' energy: -74.777 flat angles C4'-P-C4' energy: -87.536 flat angles P-C4'-P energy: -53.071 tors. eta vs tors. theta energy: -112.832 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: 336 Temperature: 1.250000 Total energy: -1168.530530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.530530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.530530 (E_RNA) where: Base-Base interactions energy: -808.641 where: short stacking energy: -354.834 Base-Backbone interact. energy: -0.194 local terms energy: -359.695121 where: bonds (distance) C4'-P energy: -59.250 bonds (distance) P-C4' energy: -77.597 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -83.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -896.625179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.625179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.625179 (E_RNA) where: Base-Base interactions energy: -556.934 where: short stacking energy: -251.676 Base-Backbone interact. energy: -0.520 local terms energy: -339.171509 where: bonds (distance) C4'-P energy: -65.984 bonds (distance) P-C4' energy: -94.482 flat angles C4'-P-C4' energy: -82.923 flat angles P-C4'-P energy: -55.874 tors. eta vs tors. theta energy: -39.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -627.417548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.417548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.417548 (E_RNA) where: Base-Base interactions energy: -347.615 where: short stacking energy: -173.020 Base-Backbone interact. energy: 2.079 local terms energy: -281.881519 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -86.872 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -49.753 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1736.785200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.785200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.785200 (E_RNA) where: Base-Base interactions energy: -1226.789 where: short stacking energy: -518.330 Base-Backbone interact. energy: -2.253 local terms energy: -507.743360 where: bonds (distance) C4'-P energy: -95.598 bonds (distance) P-C4' energy: -86.682 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -145.002 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: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1665.471778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.471778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.471778 (E_RNA) where: Base-Base interactions energy: -1170.357 where: short stacking energy: -475.666 Base-Backbone interact. energy: -2.278 local terms energy: -492.836900 where: bonds (distance) C4'-P energy: -94.502 bonds (distance) P-C4' energy: -89.634 flat angles C4'-P-C4' energy: -103.062 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -135.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1505.693502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.693502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.693502 (E_RNA) where: Base-Base interactions energy: -1026.622 where: short stacking energy: -427.353 Base-Backbone interact. energy: 1.697 local terms energy: -480.769335 where: bonds (distance) C4'-P energy: -100.172 bonds (distance) P-C4' energy: -97.243 flat angles C4'-P-C4' energy: -106.856 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -110.759 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: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1466.471568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.471568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.471568 (E_RNA) where: Base-Base interactions energy: -1056.958 where: short stacking energy: -429.690 Base-Backbone interact. energy: -2.449 local terms energy: -407.064434 where: bonds (distance) C4'-P energy: -80.360 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -105.135 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: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1423.505970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.505970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.505970 (E_RNA) where: Base-Base interactions energy: -1009.597 where: short stacking energy: -398.574 Base-Backbone interact. energy: -3.817 local terms energy: -410.091666 where: bonds (distance) C4'-P energy: -84.267 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -101.242 flat angles P-C4'-P energy: -52.228 tors. eta vs tors. theta energy: -92.831 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: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1293.348391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.348391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.348391 (E_RNA) where: Base-Base interactions energy: -874.131 where: short stacking energy: -370.779 Base-Backbone interact. energy: -1.375 local terms energy: -417.842526 where: bonds (distance) C4'-P energy: -95.348 bonds (distance) P-C4' energy: -81.508 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -61.663 tors. eta vs tors. theta energy: -84.294 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: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1273.780167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.780167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.780167 (E_RNA) where: Base-Base interactions energy: -890.089 where: short stacking energy: -377.247 Base-Backbone interact. energy: 4.077 local terms energy: -387.768558 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -96.059 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -91.704 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: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1085.088548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.088548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.088548 (E_RNA) where: Base-Base interactions energy: -733.372 where: short stacking energy: -326.224 Base-Backbone interact. energy: -2.456 local terms energy: -349.261050 where: bonds (distance) C4'-P energy: -68.137 bonds (distance) P-C4' energy: -81.081 flat angles C4'-P-C4' energy: -81.207 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -71.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -918.575064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.575064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.575064 (E_RNA) where: Base-Base interactions energy: -586.223 where: short stacking energy: -249.278 Base-Backbone interact. energy: -1.694 local terms energy: -330.658635 where: bonds (distance) C4'-P energy: -69.989 bonds (distance) P-C4' energy: -86.758 flat angles C4'-P-C4' energy: -78.331 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -44.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -609.425150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.425150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.425150 (E_RNA) where: Base-Base interactions energy: -326.375 where: short stacking energy: -163.238 Base-Backbone interact. energy: 2.648 local terms energy: -285.698363 where: bonds (distance) C4'-P energy: -81.327 bonds (distance) P-C4' energy: -89.635 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1763.058991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.058991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.058991 (E_RNA) where: Base-Base interactions energy: -1248.866 where: short stacking energy: -520.703 Base-Backbone interact. energy: 0.259 local terms energy: -514.452752 where: bonds (distance) C4'-P energy: -98.665 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: -140.056 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: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1685.641865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.641865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.641865 (E_RNA) where: Base-Base interactions energy: -1162.118 where: short stacking energy: -477.691 Base-Backbone interact. energy: -6.057 local terms energy: -517.466458 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -111.415 flat angles P-C4'-P energy: -77.335 tors. eta vs tors. theta energy: -137.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1541.144899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.144899 (E_RNA) where: Base-Base interactions energy: -1074.993 where: short stacking energy: -443.841 Base-Backbone interact. energy: 0.669 local terms energy: -466.820742 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -94.373 flat angles C4'-P-C4' energy: -97.658 flat angles P-C4'-P energy: -69.305 tors. eta vs tors. theta energy: -109.627 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: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1478.342406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.342406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.342406 (E_RNA) where: Base-Base interactions energy: -1033.025 where: short stacking energy: -417.194 Base-Backbone interact. energy: 2.600 local terms energy: -447.917244 where: bonds (distance) C4'-P energy: -88.007 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -96.595 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -106.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1462.396018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.396018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.396018 (E_RNA) where: Base-Base interactions energy: -1014.934 where: short stacking energy: -405.821 Base-Backbone interact. energy: -2.576 local terms energy: -444.886302 where: bonds (distance) C4'-P energy: -80.611 bonds (distance) P-C4' energy: -92.077 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -112.944 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: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1269.909042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.909042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.909042 (E_RNA) where: Base-Base interactions energy: -849.821 where: short stacking energy: -357.291 Base-Backbone interact. energy: 0.050 local terms energy: -420.137765 where: bonds (distance) C4'-P energy: -73.065 bonds (distance) P-C4' energy: -93.190 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -72.787 tors. eta vs tors. theta energy: -93.717 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: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1276.643002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.643002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.643002 (E_RNA) where: Base-Base interactions energy: -865.621 where: short stacking energy: -349.011 Base-Backbone interact. energy: -0.398 local terms energy: -410.624662 where: bonds (distance) C4'-P energy: -87.896 bonds (distance) P-C4' energy: -99.329 flat angles C4'-P-C4' energy: -77.071 flat angles P-C4'-P energy: -60.540 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: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1231.255921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.255921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.255921 (E_RNA) where: Base-Base interactions energy: -858.936 where: short stacking energy: -365.548 Base-Backbone interact. energy: -0.523 local terms energy: -371.797174 where: bonds (distance) C4'-P energy: -65.648 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -81.859 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -82.255 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: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -949.982144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.982144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.982144 (E_RNA) where: Base-Base interactions energy: -599.929 where: short stacking energy: -285.998 Base-Backbone interact. energy: 2.402 local terms energy: -352.454884 where: bonds (distance) C4'-P energy: -77.935 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -50.482 tors. eta vs tors. theta energy: -54.971 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: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -680.969040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.969040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.969040 (E_RNA) where: Base-Base interactions energy: -418.946 where: short stacking energy: -204.673 Base-Backbone interact. energy: 0.009 local terms energy: -262.032530 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -82.708 flat angles C4'-P-C4' energy: -64.160 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1756.518771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.518771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.518771 (E_RNA) where: Base-Base interactions energy: -1248.373 where: short stacking energy: -500.255 Base-Backbone interact. energy: -7.240 local terms energy: -500.905629 where: bonds (distance) C4'-P energy: -95.283 bonds (distance) P-C4' energy: -89.923 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -76.287 tors. eta vs tors. theta energy: -132.685 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: 339 Temperature: 0.950000 Total energy: -1649.856379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.856379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.856379 (E_RNA) where: Base-Base interactions energy: -1169.133 where: short stacking energy: -489.202 Base-Backbone interact. energy: -0.743 local terms energy: -479.979759 where: bonds (distance) C4'-P energy: -79.583 bonds (distance) P-C4' energy: -91.615 flat angles C4'-P-C4' energy: -104.319 flat angles P-C4'-P energy: -69.356 tors. eta vs tors. theta energy: -135.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1521.476375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.476375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.476375 (E_RNA) where: Base-Base interactions energy: -1058.243 where: short stacking energy: -441.326 Base-Backbone interact. energy: -0.694 local terms energy: -462.539446 where: bonds (distance) C4'-P energy: -86.926 bonds (distance) P-C4' energy: -94.801 flat angles C4'-P-C4' energy: -106.909 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -102.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1517.514433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.514433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.514433 (E_RNA) where: Base-Base interactions energy: -1078.514 where: short stacking energy: -459.425 Base-Backbone interact. energy: 0.421 local terms energy: -439.421380 where: bonds (distance) C4'-P energy: -62.389 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -94.876 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -114.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1423.492099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.492099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.492099 (E_RNA) where: Base-Base interactions energy: -1015.927 where: short stacking energy: -401.314 Base-Backbone interact. energy: -2.256 local terms energy: -405.309035 where: bonds (distance) C4'-P energy: -78.659 bonds (distance) P-C4' energy: -94.764 flat angles C4'-P-C4' energy: -93.040 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -94.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1347.794268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.794268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.794268 (E_RNA) where: Base-Base interactions energy: -932.590 where: short stacking energy: -389.235 Base-Backbone interact. energy: 2.171 local terms energy: -417.375401 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -77.005 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -102.295 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: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1219.917267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.917267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.917267 (E_RNA) where: Base-Base interactions energy: -832.748 where: short stacking energy: -369.228 Base-Backbone interact. energy: -1.012 local terms energy: -386.158116 where: bonds (distance) C4'-P energy: -63.533 bonds (distance) P-C4' energy: -94.094 flat angles C4'-P-C4' energy: -98.654 flat angles P-C4'-P energy: -41.386 tors. eta vs tors. theta energy: -88.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1254.718096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.718096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.718096 (E_RNA) where: Base-Base interactions energy: -870.440 where: short stacking energy: -374.038 Base-Backbone interact. energy: -0.082 local terms energy: -384.196370 where: bonds (distance) C4'-P energy: -74.050 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -101.453 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -89.616 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: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -932.728647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.728647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.728647 (E_RNA) where: Base-Base interactions energy: -611.006 where: short stacking energy: -269.687 Base-Backbone interact. energy: 0.420 local terms energy: -322.142141 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -79.174 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -52.631 tors. eta vs tors. theta energy: -43.502 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: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -723.640315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.640315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.640315 (E_RNA) where: Base-Base interactions energy: -462.606 where: short stacking energy: -233.749 Base-Backbone interact. energy: -2.325 local terms energy: -258.709243 where: bonds (distance) C4'-P energy: -63.716 bonds (distance) P-C4' energy: -66.689 flat angles C4'-P-C4' energy: -78.429 flat angles P-C4'-P energy: -26.663 tors. eta vs tors. theta energy: -23.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1758.014595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.014595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.014595 (E_RNA) where: Base-Base interactions energy: -1256.245 where: short stacking energy: -514.002 Base-Backbone interact. energy: 0.297 local terms energy: -502.066606 where: bonds (distance) C4'-P energy: -88.369 bonds (distance) P-C4' energy: -96.794 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -71.557 tors. eta vs tors. theta energy: -142.400 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: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1692.553849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.553849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.553849 (E_RNA) where: Base-Base interactions energy: -1171.410 where: short stacking energy: -495.181 Base-Backbone interact. energy: -0.537 local terms energy: -520.607229 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -90.553 flat angles C4'-P-C4' energy: -111.970 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -138.713 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: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1495.453175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.453175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.453175 (E_RNA) where: Base-Base interactions energy: -1052.627 where: short stacking energy: -429.234 Base-Backbone interact. energy: 5.393 local terms energy: -448.219246 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -91.713 flat angles C4'-P-C4' energy: -100.086 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -105.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1511.183672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.183672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.183672 (E_RNA) where: Base-Base interactions energy: -1061.655 where: short stacking energy: -440.066 Base-Backbone interact. energy: -2.580 local terms energy: -446.948704 where: bonds (distance) C4'-P energy: -71.337 bonds (distance) P-C4' energy: -99.209 flat angles C4'-P-C4' energy: -88.703 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -119.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1423.221570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.221570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.221570 (E_RNA) where: Base-Base interactions energy: -1002.540 where: short stacking energy: -406.957 Base-Backbone interact. energy: -1.296 local terms energy: -419.385575 where: bonds (distance) C4'-P energy: -78.348 bonds (distance) P-C4' energy: -78.399 flat angles C4'-P-C4' energy: -91.496 flat angles P-C4'-P energy: -76.127 tors. eta vs tors. theta energy: -95.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1346.561065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.561065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.561065 (E_RNA) where: Base-Base interactions energy: -927.976 where: short stacking energy: -389.084 Base-Backbone interact. energy: -0.182 local terms energy: -418.402996 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -85.023 flat angles C4'-P-C4' energy: -102.540 flat angles P-C4'-P energy: -58.288 tors. eta vs tors. theta energy: -100.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1255.816489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.816489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.816489 (E_RNA) where: Base-Base interactions energy: -852.643 where: short stacking energy: -400.481 Base-Backbone interact. energy: -0.853 local terms energy: -402.320784 where: bonds (distance) C4'-P energy: -83.749 bonds (distance) P-C4' energy: -80.623 flat angles C4'-P-C4' energy: -88.371 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -101.157 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: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1217.700445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.700445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.700445 (E_RNA) where: Base-Base interactions energy: -806.284 where: short stacking energy: -373.916 Base-Backbone interact. energy: 3.011 local terms energy: -414.426754 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -92.961 flat angles C4'-P-C4' energy: -89.268 flat angles P-C4'-P energy: -57.238 tors. eta vs tors. theta energy: -98.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -937.386027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.386027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.386027 (E_RNA) where: Base-Base interactions energy: -616.435 where: short stacking energy: -300.346 Base-Backbone interact. energy: -3.498 local terms energy: -317.453384 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -75.463 flat angles C4'-P-C4' energy: -72.129 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -53.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -709.168685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.168685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.168685 (E_RNA) where: Base-Base interactions energy: -412.600 where: short stacking energy: -203.469 Base-Backbone interact. energy: -2.837 local terms energy: -293.731189 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -71.648 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -19.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1747.578141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.578141 (E_RNA) where: Base-Base interactions energy: -1245.178 where: short stacking energy: -520.832 Base-Backbone interact. energy: -1.140 local terms energy: -501.260717 where: bonds (distance) C4'-P energy: -94.620 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -63.199 tors. eta vs tors. theta energy: -142.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1692.226465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.226465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.226465 (E_RNA) where: Base-Base interactions energy: -1201.071 where: short stacking energy: -500.567 Base-Backbone interact. energy: 3.214 local terms energy: -494.370058 where: bonds (distance) C4'-P energy: -83.373 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -97.837 flat angles P-C4'-P energy: -73.713 tors. eta vs tors. theta energy: -138.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1558.202671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.202671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.202671 (E_RNA) where: Base-Base interactions energy: -1099.420 where: short stacking energy: -452.906 Base-Backbone interact. energy: 0.351 local terms energy: -459.133639 where: bonds (distance) C4'-P energy: -81.058 bonds (distance) P-C4' energy: -98.734 flat angles C4'-P-C4' energy: -102.197 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -114.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1525.805135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.805135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.805135 (E_RNA) where: Base-Base interactions energy: -1055.639 where: short stacking energy: -433.620 Base-Backbone interact. energy: -1.972 local terms energy: -468.193739 where: bonds (distance) C4'-P energy: -89.219 bonds (distance) P-C4' energy: -98.172 flat angles C4'-P-C4' energy: -96.189 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -120.928 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: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1423.431391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.431391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.431391 (E_RNA) where: Base-Base interactions energy: -997.517 where: short stacking energy: -413.949 Base-Backbone interact. energy: -1.864 local terms energy: -424.050450 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -87.506 flat angles C4'-P-C4' energy: -91.968 flat angles P-C4'-P energy: -62.854 tors. eta vs tors. theta energy: -101.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1357.802057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.802057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.802057 (E_RNA) where: Base-Base interactions energy: -937.188 where: short stacking energy: -380.585 Base-Backbone interact. energy: -2.565 local terms energy: -418.048549 where: bonds (distance) C4'-P energy: -77.636 bonds (distance) P-C4' energy: -93.091 flat angles C4'-P-C4' energy: -93.571 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -95.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1262.562827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.562827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.562827 (E_RNA) where: Base-Base interactions energy: -853.404 where: short stacking energy: -359.316 Base-Backbone interact. energy: -2.449 local terms energy: -406.710579 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -101.618 flat angles C4'-P-C4' energy: -89.418 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -93.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1174.338097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.338097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.338097 (E_RNA) where: Base-Base interactions energy: -808.926 where: short stacking energy: -350.632 Base-Backbone interact. energy: -3.033 local terms energy: -362.378483 where: bonds (distance) C4'-P energy: -76.895 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -76.303 flat angles P-C4'-P energy: -46.936 tors. eta vs tors. theta energy: -92.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -924.841417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.841417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.841417 (E_RNA) where: Base-Base interactions energy: -603.717 where: short stacking energy: -248.761 Base-Backbone interact. energy: -1.074 local terms energy: -320.050403 where: bonds (distance) C4'-P energy: -82.968 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -30.196 tors. eta vs tors. theta energy: -40.172 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: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -674.275193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.275193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.275193 (E_RNA) where: Base-Base interactions energy: -401.285 where: short stacking energy: -220.873 Base-Backbone interact. energy: -1.273 local terms energy: -271.717010 where: bonds (distance) C4'-P energy: -74.832 bonds (distance) P-C4' energy: -77.215 flat angles C4'-P-C4' energy: -65.549 flat angles P-C4'-P energy: -23.996 tors. eta vs tors. theta energy: -30.126 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: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1736.740930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.740930 (E_RNA) where: Base-Base interactions energy: -1235.710 where: short stacking energy: -509.994 Base-Backbone interact. energy: -3.645 local terms energy: -497.385284 where: bonds (distance) C4'-P energy: -83.582 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -106.422 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: -145.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1684.468312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.468312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.468312 (E_RNA) where: Base-Base interactions energy: -1176.555 where: short stacking energy: -495.759 Base-Backbone interact. energy: -1.960 local terms energy: -505.953231 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -96.995 flat angles C4'-P-C4' energy: -110.362 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -139.939 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: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1558.295278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.295278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.295278 (E_RNA) where: Base-Base interactions energy: -1084.933 where: short stacking energy: -466.350 Base-Backbone interact. energy: -2.210 local terms energy: -471.151834 where: bonds (distance) C4'-P energy: -88.707 bonds (distance) P-C4' energy: -97.681 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -120.598 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: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1468.619043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.619043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.619043 (E_RNA) where: Base-Base interactions energy: -1028.439 where: short stacking energy: -431.089 Base-Backbone interact. energy: 1.285 local terms energy: -441.465375 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -91.239 flat angles C4'-P-C4' energy: -92.284 flat angles P-C4'-P energy: -60.126 tors. eta vs tors. theta energy: -111.782 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: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1440.786201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.786201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.786201 (E_RNA) where: Base-Base interactions energy: -1015.464 where: short stacking energy: -417.062 Base-Backbone interact. energy: -0.851 local terms energy: -424.470614 where: bonds (distance) C4'-P energy: -84.637 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -59.427 tors. eta vs tors. theta energy: -97.310 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: 342 Temperature: 1.150000 Total energy: -1322.354477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.354477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.354477 (E_RNA) where: Base-Base interactions energy: -918.581 where: short stacking energy: -384.729 Base-Backbone interact. energy: -2.488 local terms energy: -401.285372 where: bonds (distance) C4'-P energy: -85.066 bonds (distance) P-C4' energy: -76.966 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -99.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1296.508530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.508530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.508530 (E_RNA) where: Base-Base interactions energy: -902.121 where: short stacking energy: -398.992 Base-Backbone interact. energy: 0.647 local terms energy: -395.034656 where: bonds (distance) C4'-P energy: -76.426 bonds (distance) P-C4' energy: -87.553 flat angles C4'-P-C4' energy: -88.729 flat angles P-C4'-P energy: -41.323 tors. eta vs tors. theta energy: -101.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1178.022445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.022445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.022445 (E_RNA) where: Base-Base interactions energy: -785.285 where: short stacking energy: -345.695 Base-Backbone interact. energy: -2.433 local terms energy: -390.304491 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -91.803 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -86.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -847.941462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.941462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.941462 (E_RNA) where: Base-Base interactions energy: -545.473 where: short stacking energy: -251.027 Base-Backbone interact. energy: -1.853 local terms energy: -300.616058 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -75.468 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -45.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -679.249109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.249109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.249109 (E_RNA) where: Base-Base interactions energy: -388.076 where: short stacking energy: -176.899 Base-Backbone interact. energy: -0.741 local terms energy: -290.432049 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -78.667 flat angles C4'-P-C4' energy: -86.247 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: -14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1740.234689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.234689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.234689 (E_RNA) where: Base-Base interactions energy: -1237.719 where: short stacking energy: -523.388 Base-Backbone interact. energy: -2.460 local terms energy: -500.056386 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -84.659 flat angles C4'-P-C4' energy: -115.345 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -142.476 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: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1688.387250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.387250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.387250 (E_RNA) where: Base-Base interactions energy: -1192.049 where: short stacking energy: -499.666 Base-Backbone interact. energy: 1.009 local terms energy: -497.347494 where: bonds (distance) C4'-P energy: -85.763 bonds (distance) P-C4' energy: -95.494 flat angles C4'-P-C4' energy: -109.280 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -140.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1587.267192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.267192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.267192 (E_RNA) where: Base-Base interactions energy: -1101.786 where: short stacking energy: -461.580 Base-Backbone interact. energy: -0.130 local terms energy: -485.351618 where: bonds (distance) C4'-P energy: -85.801 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -115.295 flat angles P-C4'-P energy: -75.573 tors. eta vs tors. theta energy: -124.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1515.096605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.096605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.096605 (E_RNA) where: Base-Base interactions energy: -1070.566 where: short stacking energy: -444.704 Base-Backbone interact. energy: -1.685 local terms energy: -442.845950 where: bonds (distance) C4'-P energy: -89.123 bonds (distance) P-C4' energy: -84.092 flat angles C4'-P-C4' energy: -98.725 flat angles P-C4'-P energy: -60.215 tors. eta vs tors. theta energy: -110.692 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: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1420.051064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.051064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.051064 (E_RNA) where: Base-Base interactions energy: -997.142 where: short stacking energy: -403.965 Base-Backbone interact. energy: -1.717 local terms energy: -421.192074 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -87.664 flat angles C4'-P-C4' energy: -98.756 flat angles P-C4'-P energy: -69.787 tors. eta vs tors. theta energy: -87.598 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: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1306.073948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.073948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.073948 (E_RNA) where: Base-Base interactions energy: -906.007 where: short stacking energy: -395.869 Base-Backbone interact. energy: -1.129 local terms energy: -398.937824 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -79.584 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -96.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1319.046513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.046513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.046513 (E_RNA) where: Base-Base interactions energy: -910.495 where: short stacking energy: -361.169 Base-Backbone interact. energy: -2.367 local terms energy: -406.184526 where: bonds (distance) C4'-P energy: -76.241 bonds (distance) P-C4' energy: -80.190 flat angles C4'-P-C4' energy: -84.122 flat angles P-C4'-P energy: -59.182 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: 8, replica: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1212.101258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.101258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.101258 (E_RNA) where: Base-Base interactions energy: -800.957 where: short stacking energy: -366.181 Base-Backbone interact. energy: -0.335 local terms energy: -410.808715 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -100.286 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -92.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -903.119920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.119920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.119920 (E_RNA) where: Base-Base interactions energy: -599.840 where: short stacking energy: -247.859 Base-Backbone interact. energy: -1.582 local terms energy: -301.698459 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -69.457 flat angles C4'-P-C4' energy: -74.733 flat angles P-C4'-P energy: -47.215 tors. eta vs tors. theta energy: -29.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -641.433909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.433909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.433909 (E_RNA) where: Base-Base interactions energy: -349.064 where: short stacking energy: -185.403 Base-Backbone interact. energy: 3.775 local terms energy: -296.144892 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -74.614 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: -18.619 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: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1739.649634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.649634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.649634 (E_RNA) where: Base-Base interactions energy: -1222.863 where: short stacking energy: -524.511 Base-Backbone interact. energy: 0.852 local terms energy: -517.637881 where: bonds (distance) C4'-P energy: -92.758 bonds (distance) P-C4' energy: -93.483 flat angles C4'-P-C4' energy: -103.748 flat angles P-C4'-P energy: -81.045 tors. eta vs tors. theta energy: -146.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1665.619080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.619080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.619080 (E_RNA) where: Base-Base interactions energy: -1183.626 where: short stacking energy: -493.902 Base-Backbone interact. energy: -1.308 local terms energy: -480.685831 where: bonds (distance) C4'-P energy: -75.340 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -108.650 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -137.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1562.696276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.696276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.696276 (E_RNA) where: Base-Base interactions energy: -1071.597 where: short stacking energy: -453.917 Base-Backbone interact. energy: -2.638 local terms energy: -488.460949 where: bonds (distance) C4'-P energy: -91.578 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -106.147 flat angles P-C4'-P energy: -59.108 tors. eta vs tors. theta energy: -133.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1455.800210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.800210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.800210 (E_RNA) where: Base-Base interactions energy: -1019.794 where: short stacking energy: -438.414 Base-Backbone interact. energy: 3.609 local terms energy: -439.615232 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -103.606 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -104.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1413.110757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.110757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.110757 (E_RNA) where: Base-Base interactions energy: -1009.986 where: short stacking energy: -415.084 Base-Backbone interact. energy: -1.557 local terms energy: -401.567371 where: bonds (distance) C4'-P energy: -69.443 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -58.108 tors. eta vs tors. theta energy: -105.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1346.407852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.407852 (E_RNA) where: Base-Base interactions energy: -909.679 where: short stacking energy: -396.313 Base-Backbone interact. energy: -2.123 local terms energy: -434.606433 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -89.117 flat angles C4'-P-C4' energy: -99.317 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -110.137 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: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1241.679171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.679171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.679171 (E_RNA) where: Base-Base interactions energy: -850.838 where: short stacking energy: -346.680 Base-Backbone interact. energy: -2.082 local terms energy: -388.759265 where: bonds (distance) C4'-P energy: -74.000 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -53.725 tors. eta vs tors. theta energy: -97.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1164.493900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.493900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.493900 (E_RNA) where: Base-Base interactions energy: -768.541 where: short stacking energy: -319.119 Base-Backbone interact. energy: 0.916 local terms energy: -396.869486 where: bonds (distance) C4'-P energy: -84.282 bonds (distance) P-C4' energy: -88.964 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -71.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -935.910301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.910301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.910301 (E_RNA) where: Base-Base interactions energy: -597.584 where: short stacking energy: -291.539 Base-Backbone interact. energy: -0.873 local terms energy: -337.452870 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -80.390 flat angles C4'-P-C4' energy: -83.795 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -52.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -688.179406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.179406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.179406 (E_RNA) where: Base-Base interactions energy: -424.887 where: short stacking energy: -219.815 Base-Backbone interact. energy: -0.616 local terms energy: -262.676281 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -70.028 flat angles C4'-P-C4' energy: -63.376 flat angles P-C4'-P energy: -34.816 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: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1728.489254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.489254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.489254 (E_RNA) where: Base-Base interactions energy: -1208.070 where: short stacking energy: -504.665 Base-Backbone interact. energy: -3.244 local terms energy: -517.175768 where: bonds (distance) C4'-P energy: -85.534 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -112.012 flat angles P-C4'-P energy: -84.354 tors. eta vs tors. theta energy: -140.500 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: 345 Temperature: 0.950000 Total energy: -1677.239738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.239738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.239738 (E_RNA) where: Base-Base interactions energy: -1189.334 where: short stacking energy: -494.947 Base-Backbone interact. energy: 0.066 local terms energy: -487.971079 where: bonds (distance) C4'-P energy: -83.742 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -109.063 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -130.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1569.777151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.777151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.777151 (E_RNA) where: Base-Base interactions energy: -1114.091 where: short stacking energy: -450.783 Base-Backbone interact. energy: -2.715 local terms energy: -452.971320 where: bonds (distance) C4'-P energy: -74.643 bonds (distance) P-C4' energy: -81.416 flat angles C4'-P-C4' energy: -101.662 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -123.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1470.472004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.472004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.472004 (E_RNA) where: Base-Base interactions energy: -1022.182 where: short stacking energy: -429.350 Base-Backbone interact. energy: -1.892 local terms energy: -446.397684 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -88.700 flat angles C4'-P-C4' energy: -96.117 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: -115.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1423.453801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.453801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.453801 (E_RNA) where: Base-Base interactions energy: -1011.428 where: short stacking energy: -422.090 Base-Backbone interact. energy: -2.821 local terms energy: -409.204401 where: bonds (distance) C4'-P energy: -81.678 bonds (distance) P-C4' energy: -72.716 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -60.365 tors. eta vs tors. theta energy: -96.144 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: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1352.743384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.743384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.743384 (E_RNA) where: Base-Base interactions energy: -897.127 where: short stacking energy: -394.314 Base-Backbone interact. energy: -1.553 local terms energy: -454.063093 where: bonds (distance) C4'-P energy: -86.956 bonds (distance) P-C4' energy: -81.548 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -75.405 tors. eta vs tors. theta energy: -113.656 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: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1262.146389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.146389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.146389 (E_RNA) where: Base-Base interactions energy: -850.126 where: short stacking energy: -345.485 Base-Backbone interact. energy: -0.973 local terms energy: -411.047096 where: bonds (distance) C4'-P energy: -85.786 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -103.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1182.960449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.960449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.960449 (E_RNA) where: Base-Base interactions energy: -805.776 where: short stacking energy: -329.514 Base-Backbone interact. energy: 1.060 local terms energy: -378.244564 where: bonds (distance) C4'-P energy: -71.178 bonds (distance) P-C4' energy: -77.908 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -90.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -878.793511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.793511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.793511 (E_RNA) where: Base-Base interactions energy: -577.144 where: short stacking energy: -270.887 Base-Backbone interact. energy: -1.909 local terms energy: -299.740619 where: bonds (distance) C4'-P energy: -81.787 bonds (distance) P-C4' energy: -77.166 flat angles C4'-P-C4' energy: -70.561 flat angles P-C4'-P energy: -25.986 tors. eta vs tors. theta energy: -44.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -676.426274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.426274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.426274 (E_RNA) where: Base-Base interactions energy: -380.579 where: short stacking energy: -197.460 Base-Backbone interact. energy: -2.122 local terms energy: -293.725386 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -73.256 flat angles C4'-P-C4' energy: -76.118 flat angles P-C4'-P energy: -44.429 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: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1728.150508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.150508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.150508 (E_RNA) where: Base-Base interactions energy: -1227.354 where: short stacking energy: -522.380 Base-Backbone interact. energy: -0.752 local terms energy: -500.044063 where: bonds (distance) C4'-P energy: -97.020 bonds (distance) P-C4' energy: -86.737 flat angles C4'-P-C4' energy: -103.197 flat angles P-C4'-P energy: -77.118 tors. eta vs tors. theta energy: -135.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1702.102484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.102484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.102484 (E_RNA) where: Base-Base interactions energy: -1201.093 where: short stacking energy: -507.636 Base-Backbone interact. energy: -2.133 local terms energy: -498.876591 where: bonds (distance) C4'-P energy: -86.202 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -108.303 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -137.377 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: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1580.875198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.875198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.875198 (E_RNA) where: Base-Base interactions energy: -1094.696 where: short stacking energy: -482.245 Base-Backbone interact. energy: -4.680 local terms energy: -481.499397 where: bonds (distance) C4'-P energy: -90.382 bonds (distance) P-C4' energy: -93.316 flat angles C4'-P-C4' energy: -102.237 flat angles P-C4'-P energy: -63.588 tors. eta vs tors. theta energy: -131.977 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: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1484.359202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.359202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.359202 (E_RNA) where: Base-Base interactions energy: -1027.603 where: short stacking energy: -444.531 Base-Backbone interact. energy: -2.840 local terms energy: -453.915858 where: bonds (distance) C4'-P energy: -92.664 bonds (distance) P-C4' energy: -84.452 flat angles C4'-P-C4' energy: -101.925 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -110.327 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1423.240069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.240069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.240069 (E_RNA) where: Base-Base interactions energy: -978.946 where: short stacking energy: -390.981 Base-Backbone interact. energy: -4.584 local terms energy: -439.709485 where: bonds (distance) C4'-P energy: -88.312 bonds (distance) P-C4' energy: -103.673 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -104.614 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: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1321.041123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.041123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.041123 (E_RNA) where: Base-Base interactions energy: -887.440 where: short stacking energy: -403.088 Base-Backbone interact. energy: -1.648 local terms energy: -431.952696 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -97.926 flat angles C4'-P-C4' energy: -102.959 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: -105.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1255.223965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.223965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.223965 (E_RNA) where: Base-Base interactions energy: -852.031 where: short stacking energy: -386.968 Base-Backbone interact. energy: -2.243 local terms energy: -400.949435 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -69.565 flat angles C4'-P-C4' energy: -98.067 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -91.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1170.232620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.232620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.232620 (E_RNA) where: Base-Base interactions energy: -804.189 where: short stacking energy: -341.708 Base-Backbone interact. energy: -1.546 local terms energy: -364.498095 where: bonds (distance) C4'-P energy: -67.705 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -85.561 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -79.791 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -923.786144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.786144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.786144 (E_RNA) where: Base-Base interactions energy: -570.933 where: short stacking energy: -256.166 Base-Backbone interact. energy: -4.527 local terms energy: -348.326178 where: bonds (distance) C4'-P energy: -82.556 bonds (distance) P-C4' energy: -89.891 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -38.579 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: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -690.796997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.796997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.796997 (E_RNA) where: Base-Base interactions energy: -385.574 where: short stacking energy: -199.079 Base-Backbone interact. energy: -0.427 local terms energy: -304.796062 where: bonds (distance) C4'-P energy: -79.370 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -82.591 flat angles P-C4'-P energy: -29.945 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: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1729.273878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.273878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.273878 (E_RNA) where: Base-Base interactions energy: -1197.063 where: short stacking energy: -517.437 Base-Backbone interact. energy: -2.888 local terms energy: -529.323033 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -97.570 flat angles C4'-P-C4' energy: -108.696 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: -147.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1698.449797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.449797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.449797 (E_RNA) where: Base-Base interactions energy: -1189.102 where: short stacking energy: -501.774 Base-Backbone interact. energy: -1.175 local terms energy: -508.172991 where: bonds (distance) C4'-P energy: -94.020 bonds (distance) P-C4' energy: -96.255 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -76.605 tors. eta vs tors. theta energy: -137.927 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: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1576.986021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.986021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.986021 (E_RNA) where: Base-Base interactions energy: -1110.118 where: short stacking energy: -480.129 Base-Backbone interact. energy: -2.188 local terms energy: -464.679933 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -91.276 flat angles C4'-P-C4' energy: -96.420 flat angles P-C4'-P energy: -54.769 tors. eta vs tors. theta energy: -137.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1482.907857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.907857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.907857 (E_RNA) where: Base-Base interactions energy: -1007.911 where: short stacking energy: -435.533 Base-Backbone interact. energy: -3.570 local terms energy: -471.426942 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -100.522 flat angles C4'-P-C4' energy: -104.476 flat angles P-C4'-P energy: -64.040 tors. eta vs tors. theta energy: -115.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1416.292340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.292340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.292340 (E_RNA) where: Base-Base interactions energy: -997.082 where: short stacking energy: -398.372 Base-Backbone interact. energy: -2.716 local terms energy: -416.494042 where: bonds (distance) C4'-P energy: -92.329 bonds (distance) P-C4' energy: -86.350 flat angles C4'-P-C4' energy: -89.789 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: -86.525 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: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1250.421311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.421311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.421311 (E_RNA) where: Base-Base interactions energy: -847.942 where: short stacking energy: -372.256 Base-Backbone interact. energy: -1.996 local terms energy: -400.483347 where: bonds (distance) C4'-P energy: -62.970 bonds (distance) P-C4' energy: -85.227 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -106.447 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1235.897897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.897897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.897897 (E_RNA) where: Base-Base interactions energy: -826.617 where: short stacking energy: -363.954 Base-Backbone interact. energy: -2.612 local terms energy: -406.668723 where: bonds (distance) C4'-P energy: -87.490 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -81.697 flat angles P-C4'-P energy: -55.351 tors. eta vs tors. theta energy: -99.321 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: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1153.706282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.706282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.706282 (E_RNA) where: Base-Base interactions energy: -786.700 where: short stacking energy: -333.856 Base-Backbone interact. energy: -0.523 local terms energy: -366.483141 where: bonds (distance) C4'-P energy: -80.053 bonds (distance) P-C4' energy: -81.345 flat angles C4'-P-C4' energy: -93.243 flat angles P-C4'-P energy: -40.313 tors. eta vs tors. theta energy: -71.529 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: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -900.920382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.920382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.920382 (E_RNA) where: Base-Base interactions energy: -574.562 where: short stacking energy: -260.336 Base-Backbone interact. energy: 3.094 local terms energy: -329.452535 where: bonds (distance) C4'-P energy: -69.236 bonds (distance) P-C4' energy: -97.600 flat angles C4'-P-C4' energy: -79.435 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: -47.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -685.713851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.713851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.713851 (E_RNA) where: Base-Base interactions energy: -404.828 where: short stacking energy: -202.235 Base-Backbone interact. energy: -0.892 local terms energy: -279.994532 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -80.513 flat angles P-C4'-P energy: -33.676 tors. eta vs tors. theta energy: -19.701 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: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1714.004588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.004588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.004588 (E_RNA) where: Base-Base interactions energy: -1189.512 where: short stacking energy: -524.900 Base-Backbone interact. energy: -2.059 local terms energy: -522.432718 where: bonds (distance) C4'-P energy: -89.221 bonds (distance) P-C4' energy: -97.316 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -79.926 tors. eta vs tors. theta energy: -144.054 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1712.754984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.754984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.754984 (E_RNA) where: Base-Base interactions energy: -1187.735 where: short stacking energy: -507.709 Base-Backbone interact. energy: -3.360 local terms energy: -521.660409 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -82.813 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -82.482 tors. eta vs tors. theta energy: -151.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1561.666240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.666240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.666240 (E_RNA) where: Base-Base interactions energy: -1089.087 where: short stacking energy: -461.114 Base-Backbone interact. energy: -1.959 local terms energy: -470.620273 where: bonds (distance) C4'-P energy: -69.499 bonds (distance) P-C4' energy: -105.874 flat angles C4'-P-C4' energy: -101.570 flat angles P-C4'-P energy: -68.938 tors. eta vs tors. theta energy: -124.739 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: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1492.573564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.573564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.573564 (E_RNA) where: Base-Base interactions energy: -1043.496 where: short stacking energy: -428.193 Base-Backbone interact. energy: 0.786 local terms energy: -449.863707 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -94.355 flat angles C4'-P-C4' energy: -97.791 flat angles P-C4'-P energy: -57.453 tors. eta vs tors. theta energy: -108.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1405.496655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.496655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.496655 (E_RNA) where: Base-Base interactions energy: -997.308 where: short stacking energy: -408.510 Base-Backbone interact. energy: -0.803 local terms energy: -407.385527 where: bonds (distance) C4'-P energy: -66.424 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -88.580 flat angles P-C4'-P energy: -53.781 tors. eta vs tors. theta energy: -90.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1250.682367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.682367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.682367 (E_RNA) where: Base-Base interactions energy: -840.489 where: short stacking energy: -352.612 Base-Backbone interact. energy: -1.980 local terms energy: -408.213255 where: bonds (distance) C4'-P energy: -88.566 bonds (distance) P-C4' energy: -75.521 flat angles C4'-P-C4' energy: -94.347 flat angles P-C4'-P energy: -56.471 tors. eta vs tors. theta energy: -93.309 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: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1220.228222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.228222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.228222 (E_RNA) where: Base-Base interactions energy: -819.691 where: short stacking energy: -384.325 Base-Backbone interact. energy: -3.285 local terms energy: -397.251699 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -85.757 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -104.653 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: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1173.136718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.136718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.136718 (E_RNA) where: Base-Base interactions energy: -805.721 where: short stacking energy: -327.276 Base-Backbone interact. energy: 2.889 local terms energy: -370.304452 where: bonds (distance) C4'-P energy: -82.058 bonds (distance) P-C4' energy: -80.942 flat angles C4'-P-C4' energy: -90.773 flat angles P-C4'-P energy: -46.011 tors. eta vs tors. theta energy: -70.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -919.310599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.310599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.310599 (E_RNA) where: Base-Base interactions energy: -574.192 where: short stacking energy: -276.575 Base-Backbone interact. energy: -0.908 local terms energy: -344.210768 where: bonds (distance) C4'-P energy: -86.065 bonds (distance) P-C4' energy: -79.791 flat angles C4'-P-C4' energy: -83.383 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -54.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -608.549314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.549314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.549314 (E_RNA) where: Base-Base interactions energy: -352.370 where: short stacking energy: -169.190 Base-Backbone interact. energy: 1.124 local terms energy: -257.302948 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1718.593412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.593412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.593412 (E_RNA) where: Base-Base interactions energy: -1190.499 where: short stacking energy: -528.197 Base-Backbone interact. energy: 1.773 local terms energy: -529.867549 where: bonds (distance) C4'-P energy: -96.839 bonds (distance) P-C4' energy: -90.905 flat angles C4'-P-C4' energy: -108.739 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -149.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1693.994264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.994264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.994264 (E_RNA) where: Base-Base interactions energy: -1177.204 where: short stacking energy: -481.277 Base-Backbone interact. energy: -1.566 local terms energy: -515.224051 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -145.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1582.297149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.297149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.297149 (E_RNA) where: Base-Base interactions energy: -1097.026 where: short stacking energy: -452.850 Base-Backbone interact. energy: -4.703 local terms energy: -480.568551 where: bonds (distance) C4'-P energy: -83.541 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -70.292 tors. eta vs tors. theta energy: -126.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1477.245014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.245014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.245014 (E_RNA) where: Base-Base interactions energy: -1037.555 where: short stacking energy: -446.328 Base-Backbone interact. energy: -4.078 local terms energy: -435.612198 where: bonds (distance) C4'-P energy: -77.524 bonds (distance) P-C4' energy: -83.885 flat angles C4'-P-C4' energy: -98.261 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: -119.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1442.596001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.596001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.596001 (E_RNA) where: Base-Base interactions energy: -1031.181 where: short stacking energy: -401.568 Base-Backbone interact. energy: 1.073 local terms energy: -412.487799 where: bonds (distance) C4'-P energy: -78.095 bonds (distance) P-C4' energy: -86.914 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: -92.782 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: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1302.005330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.005330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.005330 (E_RNA) where: Base-Base interactions energy: -867.881 where: short stacking energy: -358.003 Base-Backbone interact. energy: -6.478 local terms energy: -427.645694 where: bonds (distance) C4'-P energy: -84.544 bonds (distance) P-C4' energy: -95.054 flat angles C4'-P-C4' energy: -87.299 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: -87.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1222.082088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.082088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.082088 (E_RNA) where: Base-Base interactions energy: -839.349 where: short stacking energy: -357.759 Base-Backbone interact. energy: -1.648 local terms energy: -381.085730 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -83.433 flat angles P-C4'-P energy: -50.545 tors. eta vs tors. theta energy: -80.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1169.771786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.771786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.771786 (E_RNA) where: Base-Base interactions energy: -816.080 where: short stacking energy: -338.335 Base-Backbone interact. energy: 0.111 local terms energy: -353.802725 where: bonds (distance) C4'-P energy: -60.992 bonds (distance) P-C4' energy: -72.331 flat angles C4'-P-C4' energy: -90.216 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -79.264 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: 349 Temperature: 1.300000 Total energy: -935.156730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.156730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.156730 (E_RNA) where: Base-Base interactions energy: -616.741 where: short stacking energy: -285.165 Base-Backbone interact. energy: 0.388 local terms energy: -318.802938 where: bonds (distance) C4'-P energy: -55.318 bonds (distance) P-C4' energy: -65.781 flat angles C4'-P-C4' energy: -87.252 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -51.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -551.342268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.342268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.342268 (E_RNA) where: Base-Base interactions energy: -298.097 where: short stacking energy: -158.732 Base-Backbone interact. energy: -0.388 local terms energy: -252.856826 where: bonds (distance) C4'-P energy: -74.935 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -72.535 flat angles P-C4'-P energy: -27.708 tors. eta vs tors. theta energy: 1.886 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: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1731.078921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.078921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.078921 (E_RNA) where: Base-Base interactions energy: -1206.592 where: short stacking energy: -522.092 Base-Backbone interact. energy: -0.378 local terms energy: -524.108730 where: bonds (distance) C4'-P energy: -92.479 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -69.291 tors. eta vs tors. theta energy: -147.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1707.154968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.154968 (E_RNA) where: Base-Base interactions energy: -1186.290 where: short stacking energy: -507.602 Base-Backbone interact. energy: -1.837 local terms energy: -519.027191 where: bonds (distance) C4'-P energy: -96.410 bonds (distance) P-C4' energy: -99.016 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -136.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1578.714158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.714158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.714158 (E_RNA) where: Base-Base interactions energy: -1115.483 where: short stacking energy: -478.444 Base-Backbone interact. energy: -3.027 local terms energy: -460.203644 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -99.480 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -127.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1495.172402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.172402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.172402 (E_RNA) where: Base-Base interactions energy: -1048.412 where: short stacking energy: -456.572 Base-Backbone interact. energy: -1.752 local terms energy: -445.007816 where: bonds (distance) C4'-P energy: -84.858 bonds (distance) P-C4' energy: -81.367 flat angles C4'-P-C4' energy: -102.454 flat angles P-C4'-P energy: -64.616 tors. eta vs tors. theta energy: -111.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1442.278626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.278626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.278626 (E_RNA) where: Base-Base interactions energy: -1035.034 where: short stacking energy: -419.917 Base-Backbone interact. energy: 1.194 local terms energy: -408.439116 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -76.671 flat angles C4'-P-C4' energy: -103.657 flat angles P-C4'-P energy: -65.606 tors. eta vs tors. theta energy: -92.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1290.488029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.488029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.488029 (E_RNA) where: Base-Base interactions energy: -880.215 where: short stacking energy: -368.355 Base-Backbone interact. energy: -2.572 local terms energy: -407.701265 where: bonds (distance) C4'-P energy: -85.700 bonds (distance) P-C4' energy: -67.949 flat angles C4'-P-C4' energy: -103.024 flat angles P-C4'-P energy: -57.203 tors. eta vs tors. theta energy: -93.826 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: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1148.939112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.939112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.939112 (E_RNA) where: Base-Base interactions energy: -781.225 where: short stacking energy: -333.813 Base-Backbone interact. energy: -1.812 local terms energy: -365.902198 where: bonds (distance) C4'-P energy: -48.429 bonds (distance) P-C4' energy: -83.920 flat angles C4'-P-C4' energy: -89.242 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -82.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1144.142179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.142179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.142179 (E_RNA) where: Base-Base interactions energy: -769.604 where: short stacking energy: -331.825 Base-Backbone interact. energy: -3.590 local terms energy: -370.947904 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -64.947 flat angles C4'-P-C4' energy: -77.859 flat angles P-C4'-P energy: -63.286 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: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -948.794477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.794477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.794477 (E_RNA) where: Base-Base interactions energy: -625.159 where: short stacking energy: -277.405 Base-Backbone interact. energy: -3.232 local terms energy: -320.403894 where: bonds (distance) C4'-P energy: -72.234 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -88.635 flat angles P-C4'-P energy: -39.701 tors. eta vs tors. theta energy: -42.073 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -582.279283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.279283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.279283 (E_RNA) where: Base-Base interactions energy: -326.530 where: short stacking energy: -179.329 Base-Backbone interact. energy: -0.291 local terms energy: -255.458523 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -57.303 flat angles C4'-P-C4' energy: -78.426 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: -16.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1735.375348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.375348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.375348 (E_RNA) where: Base-Base interactions energy: -1203.484 where: short stacking energy: -516.885 Base-Backbone interact. energy: -3.337 local terms energy: -528.554657 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -92.847 flat angles C4'-P-C4' energy: -101.361 flat angles P-C4'-P energy: -78.688 tors. eta vs tors. theta energy: -154.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1702.815588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.815588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.815588 (E_RNA) where: Base-Base interactions energy: -1184.557 where: short stacking energy: -499.107 Base-Backbone interact. energy: 2.146 local terms energy: -520.404898 where: bonds (distance) C4'-P energy: -101.926 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -107.249 flat angles P-C4'-P energy: -79.485 tors. eta vs tors. theta energy: -144.585 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: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1561.511009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.511009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.511009 (E_RNA) where: Base-Base interactions energy: -1085.626 where: short stacking energy: -469.443 Base-Backbone interact. energy: -3.008 local terms energy: -472.877281 where: bonds (distance) C4'-P energy: -84.298 bonds (distance) P-C4' energy: -87.810 flat angles C4'-P-C4' energy: -97.037 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -130.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1512.649250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.649250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.649250 (E_RNA) where: Base-Base interactions energy: -1041.532 where: short stacking energy: -443.275 Base-Backbone interact. energy: -0.036 local terms energy: -471.080756 where: bonds (distance) C4'-P energy: -91.638 bonds (distance) P-C4' energy: -95.061 flat angles C4'-P-C4' energy: -103.321 flat angles P-C4'-P energy: -58.641 tors. eta vs tors. theta energy: -122.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1387.060907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.060907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.060907 (E_RNA) where: Base-Base interactions energy: -980.477 where: short stacking energy: -382.850 Base-Backbone interact. energy: -1.292 local terms energy: -405.292348 where: bonds (distance) C4'-P energy: -75.538 bonds (distance) P-C4' energy: -76.571 flat angles C4'-P-C4' energy: -107.567 flat angles P-C4'-P energy: -56.168 tors. eta vs tors. theta energy: -89.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1298.737167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.737167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.737167 (E_RNA) where: Base-Base interactions energy: -903.351 where: short stacking energy: -384.214 Base-Backbone interact. energy: -1.614 local terms energy: -393.772409 where: bonds (distance) C4'-P energy: -82.974 bonds (distance) P-C4' energy: -71.730 flat angles C4'-P-C4' energy: -85.502 flat angles P-C4'-P energy: -59.504 tors. eta vs tors. theta energy: -94.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1128.769746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.769746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.769746 (E_RNA) where: Base-Base interactions energy: -753.051 where: short stacking energy: -346.097 Base-Backbone interact. energy: 0.941 local terms energy: -376.659583 where: bonds (distance) C4'-P energy: -91.913 bonds (distance) P-C4' energy: -67.702 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -45.375 tors. eta vs tors. theta energy: -73.318 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: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1143.697247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.697247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.697247 (E_RNA) where: Base-Base interactions energy: -750.823 where: short stacking energy: -327.514 Base-Backbone interact. energy: -0.828 local terms energy: -392.046336 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -96.867 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -77.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -954.284286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.284286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.284286 (E_RNA) where: Base-Base interactions energy: -595.490 where: short stacking energy: -267.323 Base-Backbone interact. energy: -1.264 local terms energy: -357.530315 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -83.322 flat angles C4'-P-C4' energy: -85.459 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -46.098 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -582.674967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.674967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.674967 (E_RNA) where: Base-Base interactions energy: -328.202 where: short stacking energy: -157.558 Base-Backbone interact. energy: 3.431 local terms energy: -257.904677 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -76.109 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -5.929 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: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1726.711258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.711258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.711258 (E_RNA) where: Base-Base interactions energy: -1208.976 where: short stacking energy: -525.267 Base-Backbone interact. energy: -0.913 local terms energy: -516.822427 where: bonds (distance) C4'-P energy: -93.119 bonds (distance) P-C4' energy: -90.284 flat angles C4'-P-C4' energy: -107.174 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -149.565 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: 352 Temperature: 0.950000 Total energy: -1722.485518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.485518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.485518 (E_RNA) where: Base-Base interactions energy: -1217.757 where: short stacking energy: -522.381 Base-Backbone interact. energy: -4.271 local terms energy: -500.457593 where: bonds (distance) C4'-P energy: -88.325 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -66.021 tors. eta vs tors. theta energy: -148.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1563.825130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.825130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.825130 (E_RNA) where: Base-Base interactions energy: -1091.388 where: short stacking energy: -484.413 Base-Backbone interact. energy: -0.126 local terms energy: -472.310459 where: bonds (distance) C4'-P energy: -84.840 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -106.401 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: -125.070 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: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1485.542116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.542116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.542116 (E_RNA) where: Base-Base interactions energy: -1038.937 where: short stacking energy: -459.911 Base-Backbone interact. energy: -4.276 local terms energy: -442.329534 where: bonds (distance) C4'-P energy: -69.452 bonds (distance) P-C4' energy: -79.257 flat angles C4'-P-C4' energy: -103.516 flat angles P-C4'-P energy: -75.258 tors. eta vs tors. theta energy: -114.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1422.373027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.373027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.373027 (E_RNA) where: Base-Base interactions energy: -996.655 where: short stacking energy: -419.071 Base-Backbone interact. energy: -0.207 local terms energy: -425.510943 where: bonds (distance) C4'-P energy: -77.439 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -106.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1353.872718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.872718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.872718 (E_RNA) where: Base-Base interactions energy: -904.792 where: short stacking energy: -376.199 Base-Backbone interact. energy: -2.549 local terms energy: -446.530838 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -106.328 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -100.862 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: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1227.170819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.170819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.170819 (E_RNA) where: Base-Base interactions energy: -817.178 where: short stacking energy: -351.504 Base-Backbone interact. energy: -1.705 local terms energy: -408.287948 where: bonds (distance) C4'-P energy: -83.883 bonds (distance) P-C4' energy: -76.455 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -96.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1072.707897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.707897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.707897 (E_RNA) where: Base-Base interactions energy: -727.076 where: short stacking energy: -327.508 Base-Backbone interact. energy: -0.451 local terms energy: -345.181544 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -68.664 flat angles C4'-P-C4' energy: -73.966 flat angles P-C4'-P energy: -55.927 tors. eta vs tors. theta energy: -75.944 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: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -911.151612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.151612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.151612 (E_RNA) where: Base-Base interactions energy: -594.290 where: short stacking energy: -283.161 Base-Backbone interact. energy: -0.437 local terms energy: -316.424466 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -91.451 flat angles C4'-P-C4' energy: -78.346 flat angles P-C4'-P energy: -42.086 tors. eta vs tors. theta energy: -36.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -572.001480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.001480 (E_RNA) where: Base-Base interactions energy: -331.766 where: short stacking energy: -164.087 Base-Backbone interact. energy: 1.394 local terms energy: -241.629564 where: bonds (distance) C4'-P energy: -60.605 bonds (distance) P-C4' energy: -73.571 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: -1.300 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: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1712.337915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.337915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.337915 (E_RNA) where: Base-Base interactions energy: -1210.997 where: short stacking energy: -517.519 Base-Backbone interact. energy: -4.570 local terms energy: -496.771785 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -84.085 flat angles C4'-P-C4' energy: -107.359 flat angles P-C4'-P energy: -72.817 tors. eta vs tors. theta energy: -148.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1725.781939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.781939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.781939 (E_RNA) where: Base-Base interactions energy: -1192.601 where: short stacking energy: -494.170 Base-Backbone interact. energy: -3.172 local terms energy: -530.008685 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -98.716 flat angles C4'-P-C4' energy: -110.255 flat angles P-C4'-P energy: -81.106 tors. eta vs tors. theta energy: -149.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1596.981781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.981781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.981781 (E_RNA) where: Base-Base interactions energy: -1099.797 where: short stacking energy: -470.357 Base-Backbone interact. energy: -1.817 local terms energy: -495.367623 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -98.863 flat angles C4'-P-C4' energy: -109.980 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -130.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1489.082726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.082726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.082726 (E_RNA) where: Base-Base interactions energy: -1031.005 where: short stacking energy: -439.553 Base-Backbone interact. energy: -4.208 local terms energy: -453.870055 where: bonds (distance) C4'-P energy: -95.839 bonds (distance) P-C4' energy: -87.414 flat angles C4'-P-C4' energy: -91.550 flat angles P-C4'-P energy: -65.253 tors. eta vs tors. theta energy: -113.814 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: 353 Temperature: 1.100000 Total energy: -1408.526459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.526459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.526459 (E_RNA) where: Base-Base interactions energy: -992.780 where: short stacking energy: -405.866 Base-Backbone interact. energy: -2.688 local terms energy: -413.059240 where: bonds (distance) C4'-P energy: -76.610 bonds (distance) P-C4' energy: -76.299 flat angles C4'-P-C4' energy: -98.067 flat angles P-C4'-P energy: -66.760 tors. eta vs tors. theta energy: -95.324 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1327.481143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.481143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.481143 (E_RNA) where: Base-Base interactions energy: -893.242 where: short stacking energy: -375.368 Base-Backbone interact. energy: -1.313 local terms energy: -432.926066 where: bonds (distance) C4'-P energy: -81.935 bonds (distance) P-C4' energy: -74.453 flat angles C4'-P-C4' energy: -94.012 flat angles P-C4'-P energy: -82.028 tors. eta vs tors. theta energy: -100.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1162.580477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.580477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.580477 (E_RNA) where: Base-Base interactions energy: -784.278 where: short stacking energy: -332.896 Base-Backbone interact. energy: -2.252 local terms energy: -376.050450 where: bonds (distance) C4'-P energy: -65.930 bonds (distance) P-C4' energy: -91.024 flat angles C4'-P-C4' energy: -88.734 flat angles P-C4'-P energy: -65.757 tors. eta vs tors. theta energy: -64.605 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: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1053.927343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.927343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.927343 (E_RNA) where: Base-Base interactions energy: -695.910 where: short stacking energy: -310.242 Base-Backbone interact. energy: -4.447 local terms energy: -353.570187 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -88.985 flat angles C4'-P-C4' energy: -73.223 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: -57.780 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: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -926.722965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.722965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.722965 (E_RNA) where: Base-Base interactions energy: -588.462 where: short stacking energy: -261.651 Base-Backbone interact. energy: -2.747 local terms energy: -335.513063 where: bonds (distance) C4'-P energy: -79.673 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -80.811 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -47.936 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: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -515.566050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.566050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.566050 (E_RNA) where: Base-Base interactions energy: -240.108 where: short stacking energy: -153.346 Base-Backbone interact. energy: -0.239 local terms energy: -275.219463 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -90.438 flat angles C4'-P-C4' energy: -78.239 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1744.401141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.401141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.401141 (E_RNA) where: Base-Base interactions energy: -1229.346 where: short stacking energy: -495.154 Base-Backbone interact. energy: -2.307 local terms energy: -512.747620 where: bonds (distance) C4'-P energy: -93.692 bonds (distance) P-C4' energy: -97.894 flat angles C4'-P-C4' energy: -109.823 flat angles P-C4'-P energy: -73.837 tors. eta vs tors. theta energy: -137.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1717.782212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.782212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.782212 (E_RNA) where: Base-Base interactions energy: -1203.711 where: short stacking energy: -519.443 Base-Backbone interact. energy: -5.695 local terms energy: -508.376625 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -100.537 flat angles C4'-P-C4' energy: -100.690 flat angles P-C4'-P energy: -75.624 tors. eta vs tors. theta energy: -148.755 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: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1592.177323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.177323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.177323 (E_RNA) where: Base-Base interactions energy: -1094.753 where: short stacking energy: -480.206 Base-Backbone interact. energy: -3.119 local terms energy: -494.305413 where: bonds (distance) C4'-P energy: -81.635 bonds (distance) P-C4' energy: -100.179 flat angles C4'-P-C4' energy: -107.617 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -128.370 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: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1494.516727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.516727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.516727 (E_RNA) where: Base-Base interactions energy: -1035.280 where: short stacking energy: -433.798 Base-Backbone interact. energy: 1.276 local terms energy: -460.512219 where: bonds (distance) C4'-P energy: -90.026 bonds (distance) P-C4' energy: -84.894 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: -118.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1374.908617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.908617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.908617 (E_RNA) where: Base-Base interactions energy: -986.520 where: short stacking energy: -391.326 Base-Backbone interact. energy: 1.534 local terms energy: -389.922127 where: bonds (distance) C4'-P energy: -81.400 bonds (distance) P-C4' energy: -97.868 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -92.947 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1278.259397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.259397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.259397 (E_RNA) where: Base-Base interactions energy: -860.812 where: short stacking energy: -364.152 Base-Backbone interact. energy: -0.213 local terms energy: -417.234542 where: bonds (distance) C4'-P energy: -79.935 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -94.754 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -94.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1167.267975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.267975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.267975 (E_RNA) where: Base-Base interactions energy: -768.477 where: short stacking energy: -357.450 Base-Backbone interact. energy: -1.409 local terms energy: -397.382508 where: bonds (distance) C4'-P energy: -88.224 bonds (distance) P-C4' energy: -58.920 flat angles C4'-P-C4' energy: -108.612 flat angles P-C4'-P energy: -61.910 tors. eta vs tors. theta energy: -79.716 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1067.078279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.078279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.078279 (E_RNA) where: Base-Base interactions energy: -681.755 where: short stacking energy: -328.803 Base-Backbone interact. energy: -1.065 local terms energy: -384.258382 where: bonds (distance) C4'-P energy: -75.721 bonds (distance) P-C4' energy: -87.629 flat angles C4'-P-C4' energy: -91.164 flat angles P-C4'-P energy: -65.789 tors. eta vs tors. theta energy: -63.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -976.228984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.228984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.228984 (E_RNA) where: Base-Base interactions energy: -618.409 where: short stacking energy: -279.616 Base-Backbone interact. energy: -1.158 local terms energy: -356.661842 where: bonds (distance) C4'-P energy: -74.324 bonds (distance) P-C4' energy: -74.995 flat angles C4'-P-C4' energy: -93.252 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -61.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -550.600685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.600685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.600685 (E_RNA) where: Base-Base interactions energy: -302.140 where: short stacking energy: -156.892 Base-Backbone interact. energy: 3.314 local terms energy: -251.774860 where: bonds (distance) C4'-P energy: -79.857 bonds (distance) P-C4' energy: -81.658 flat angles C4'-P-C4' energy: -54.124 flat angles P-C4'-P energy: -33.430 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1743.431694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.431694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.431694 (E_RNA) where: Base-Base interactions energy: -1225.479 where: short stacking energy: -504.385 Base-Backbone interact. energy: -2.632 local terms energy: -515.320813 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -96.000 flat angles C4'-P-C4' energy: -109.828 flat angles P-C4'-P energy: -75.245 tors. eta vs tors. theta energy: -138.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1693.949155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.949155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.949155 (E_RNA) where: Base-Base interactions energy: -1178.276 where: short stacking energy: -503.735 Base-Backbone interact. energy: -4.969 local terms energy: -510.704301 where: bonds (distance) C4'-P energy: -85.304 bonds (distance) P-C4' energy: -93.368 flat angles C4'-P-C4' energy: -107.631 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -147.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1607.249753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.249753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.249753 (E_RNA) where: Base-Base interactions energy: -1109.919 where: short stacking energy: -460.466 Base-Backbone interact. energy: -3.688 local terms energy: -493.643324 where: bonds (distance) C4'-P energy: -82.591 bonds (distance) P-C4' energy: -94.300 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -84.668 tors. eta vs tors. theta energy: -130.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1494.240000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.240000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.240000 (E_RNA) where: Base-Base interactions energy: -1039.768 where: short stacking energy: -434.367 Base-Backbone interact. energy: -0.154 local terms energy: -454.318331 where: bonds (distance) C4'-P energy: -92.178 bonds (distance) P-C4' energy: -97.766 flat angles C4'-P-C4' energy: -84.117 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -114.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1364.733149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.733149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.733149 (E_RNA) where: Base-Base interactions energy: -945.907 where: short stacking energy: -387.922 Base-Backbone interact. energy: -3.977 local terms energy: -414.849732 where: bonds (distance) C4'-P energy: -80.889 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -97.387 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -100.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1325.842140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.842140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.842140 (E_RNA) where: Base-Base interactions energy: -898.769 where: short stacking energy: -382.670 Base-Backbone interact. energy: -3.507 local terms energy: -423.566201 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -88.623 flat angles C4'-P-C4' energy: -85.122 flat angles P-C4'-P energy: -70.250 tors. eta vs tors. theta energy: -108.338 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: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1211.983392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.983392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.983392 (E_RNA) where: Base-Base interactions energy: -792.025 where: short stacking energy: -337.751 Base-Backbone interact. energy: -1.671 local terms energy: -418.288060 where: bonds (distance) C4'-P energy: -95.796 bonds (distance) P-C4' energy: -84.529 flat angles C4'-P-C4' energy: -91.902 flat angles P-C4'-P energy: -62.118 tors. eta vs tors. theta energy: -83.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1035.089841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.089841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.089841 (E_RNA) where: Base-Base interactions energy: -702.029 where: short stacking energy: -311.175 Base-Backbone interact. energy: -2.201 local terms energy: -330.860232 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -73.480 flat angles C4'-P-C4' energy: -75.944 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -67.512 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: 355 Temperature: 1.300000 Total energy: -898.912276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.912276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.912276 (E_RNA) where: Base-Base interactions energy: -545.495 where: short stacking energy: -246.584 Base-Backbone interact. energy: -0.675 local terms energy: -352.742027 where: bonds (distance) C4'-P energy: -87.506 bonds (distance) P-C4' energy: -77.903 flat angles C4'-P-C4' energy: -90.301 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -46.380 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: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -576.241494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.241494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.241494 (E_RNA) where: Base-Base interactions energy: -297.863 where: short stacking energy: -165.567 Base-Backbone interact. energy: 0.562 local terms energy: -278.941067 where: bonds (distance) C4'-P energy: -68.391 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -74.563 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -1.645 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: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1774.099285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.099285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.099285 (E_RNA) where: Base-Base interactions energy: -1246.028 where: short stacking energy: -534.406 Base-Backbone interact. energy: -3.702 local terms energy: -524.368938 where: bonds (distance) C4'-P energy: -96.811 bonds (distance) P-C4' energy: -95.140 flat angles C4'-P-C4' energy: -111.441 flat angles P-C4'-P energy: -70.422 tors. eta vs tors. theta energy: -150.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1705.585086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.585086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.585086 (E_RNA) where: Base-Base interactions energy: -1205.363 where: short stacking energy: -514.766 Base-Backbone interact. energy: 2.068 local terms energy: -502.290530 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -93.463 flat angles C4'-P-C4' energy: -101.844 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -149.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1570.379679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.379679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.379679 (E_RNA) where: Base-Base interactions energy: -1097.973 where: short stacking energy: -435.804 Base-Backbone interact. energy: -2.691 local terms energy: -469.715647 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -88.582 flat angles C4'-P-C4' energy: -105.178 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -115.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1508.785638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.785638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.785638 (E_RNA) where: Base-Base interactions energy: -1044.767 where: short stacking energy: -428.890 Base-Backbone interact. energy: -1.694 local terms energy: -462.324261 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -96.980 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -117.063 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: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1384.640458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.640458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.640458 (E_RNA) where: Base-Base interactions energy: -969.386 where: short stacking energy: -398.090 Base-Backbone interact. energy: -0.346 local terms energy: -414.908568 where: bonds (distance) C4'-P energy: -81.732 bonds (distance) P-C4' energy: -93.464 flat angles C4'-P-C4' energy: -85.898 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: -94.046 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: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1356.692233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.692233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.692233 (E_RNA) where: Base-Base interactions energy: -921.526 where: short stacking energy: -371.420 Base-Backbone interact. energy: -2.487 local terms energy: -432.678771 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -80.310 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -106.122 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: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1238.518851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.518851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.518851 (E_RNA) where: Base-Base interactions energy: -827.452 where: short stacking energy: -353.993 Base-Backbone interact. energy: -1.799 local terms energy: -409.268060 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -96.405 flat angles C4'-P-C4' energy: -86.939 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -96.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1012.356709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.356709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.356709 (E_RNA) where: Base-Base interactions energy: -689.418 where: short stacking energy: -307.146 Base-Backbone interact. energy: -1.128 local terms energy: -321.810811 where: bonds (distance) C4'-P energy: -56.630 bonds (distance) P-C4' energy: -73.542 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -59.900 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -880.137679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.137679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.137679 (E_RNA) where: Base-Base interactions energy: -573.399 where: short stacking energy: -268.939 Base-Backbone interact. energy: -2.412 local terms energy: -304.325812 where: bonds (distance) C4'-P energy: -73.915 bonds (distance) P-C4' energy: -70.809 flat angles C4'-P-C4' energy: -84.678 flat angles P-C4'-P energy: -30.682 tors. eta vs tors. theta energy: -44.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -601.716356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.716356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.716356 (E_RNA) where: Base-Base interactions energy: -347.525 where: short stacking energy: -198.257 Base-Backbone interact. energy: 0.543 local terms energy: -254.734483 where: bonds (distance) C4'-P energy: -75.430 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -47.971 flat angles P-C4'-P energy: -35.353 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1745.751166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.751166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.751166 (E_RNA) where: Base-Base interactions energy: -1216.351 where: short stacking energy: -517.501 Base-Backbone interact. energy: -1.463 local terms energy: -527.937033 where: bonds (distance) C4'-P energy: -92.982 bonds (distance) P-C4' energy: -103.582 flat angles C4'-P-C4' energy: -105.203 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -153.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1700.155469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.155469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.155469 (E_RNA) where: Base-Base interactions energy: -1186.907 where: short stacking energy: -500.497 Base-Backbone interact. energy: -2.491 local terms energy: -510.757961 where: bonds (distance) C4'-P energy: -91.265 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -148.408 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: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1599.875126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.875126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.875126 (E_RNA) where: Base-Base interactions energy: -1136.805 where: short stacking energy: -470.851 Base-Backbone interact. energy: -1.668 local terms energy: -461.401901 where: bonds (distance) C4'-P energy: -89.568 bonds (distance) P-C4' energy: -87.362 flat angles C4'-P-C4' energy: -103.274 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -120.145 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: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1488.054605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.054605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.054605 (E_RNA) where: Base-Base interactions energy: -1054.271 where: short stacking energy: -419.140 Base-Backbone interact. energy: -1.940 local terms energy: -431.843863 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -97.138 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -97.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1469.389569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.389569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.389569 (E_RNA) where: Base-Base interactions energy: -1038.078 where: short stacking energy: -420.744 Base-Backbone interact. energy: 0.254 local terms energy: -431.565142 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -93.364 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -70.014 tors. eta vs tors. theta energy: -95.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1244.637410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.637410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.637410 (E_RNA) where: Base-Base interactions energy: -819.581 where: short stacking energy: -368.227 Base-Backbone interact. energy: -1.354 local terms energy: -423.701996 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -82.071 flat angles C4'-P-C4' energy: -95.334 flat angles P-C4'-P energy: -64.976 tors. eta vs tors. theta energy: -97.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1184.544035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.544035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.544035 (E_RNA) where: Base-Base interactions energy: -801.125 where: short stacking energy: -353.256 Base-Backbone interact. energy: -1.841 local terms energy: -381.578242 where: bonds (distance) C4'-P energy: -82.539 bonds (distance) P-C4' energy: -82.691 flat angles C4'-P-C4' energy: -82.012 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -88.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1070.775566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.775566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.775566 (E_RNA) where: Base-Base interactions energy: -695.744 where: short stacking energy: -316.050 Base-Backbone interact. energy: -1.442 local terms energy: -373.589440 where: bonds (distance) C4'-P energy: -83.679 bonds (distance) P-C4' energy: -85.022 flat angles C4'-P-C4' energy: -82.135 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -73.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -890.361878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.361878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.361878 (E_RNA) where: Base-Base interactions energy: -568.500 where: short stacking energy: -259.710 Base-Backbone interact. energy: 1.390 local terms energy: -323.252256 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -75.058 flat angles C4'-P-C4' energy: -81.390 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -47.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -611.817816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.817816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.817816 (E_RNA) where: Base-Base interactions energy: -306.360 where: short stacking energy: -163.683 Base-Backbone interact. energy: -3.945 local terms energy: -301.512233 where: bonds (distance) C4'-P energy: -86.293 bonds (distance) P-C4' energy: -91.434 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1757.450900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.450900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.450900 (E_RNA) where: Base-Base interactions energy: -1230.143 where: short stacking energy: -507.772 Base-Backbone interact. energy: -4.211 local terms energy: -523.096681 where: bonds (distance) C4'-P energy: -97.777 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -111.370 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -141.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1722.139440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.139440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.139440 (E_RNA) where: Base-Base interactions energy: -1209.620 where: short stacking energy: -510.934 Base-Backbone interact. energy: -3.914 local terms energy: -508.605202 where: bonds (distance) C4'-P energy: -88.502 bonds (distance) P-C4' energy: -93.089 flat angles C4'-P-C4' energy: -108.944 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -150.773 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: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1600.540772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.540772 (E_RNA) where: Base-Base interactions energy: -1126.767 where: short stacking energy: -449.979 Base-Backbone interact. energy: -3.802 local terms energy: -469.971501 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -85.965 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -72.185 tors. eta vs tors. theta energy: -119.672 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: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1517.036767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.036767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.036767 (E_RNA) where: Base-Base interactions energy: -1053.675 where: short stacking energy: -451.219 Base-Backbone interact. energy: 2.273 local terms energy: -465.635272 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -83.249 flat angles C4'-P-C4' energy: -100.946 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: -132.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1402.047942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.047942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.047942 (E_RNA) where: Base-Base interactions energy: -1002.242 where: short stacking energy: -391.480 Base-Backbone interact. energy: -4.037 local terms energy: -395.768806 where: bonds (distance) C4'-P energy: -78.439 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -90.896 flat angles P-C4'-P energy: -64.790 tors. eta vs tors. theta energy: -87.828 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: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1290.069728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.069728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.069728 (E_RNA) where: Base-Base interactions energy: -854.962 where: short stacking energy: -361.791 Base-Backbone interact. energy: -0.986 local terms energy: -434.121378 where: bonds (distance) C4'-P energy: -87.321 bonds (distance) P-C4' energy: -91.669 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -99.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1203.857099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.857099 (E_RNA) where: Base-Base interactions energy: -808.585 where: short stacking energy: -359.185 Base-Backbone interact. energy: -1.176 local terms energy: -394.096490 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -88.290 flat angles C4'-P-C4' energy: -85.918 flat angles P-C4'-P energy: -63.475 tors. eta vs tors. theta energy: -77.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1036.185241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.185241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.185241 (E_RNA) where: Base-Base interactions energy: -695.368 where: short stacking energy: -295.173 Base-Backbone interact. energy: -1.452 local terms energy: -339.365468 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -85.359 flat angles C4'-P-C4' energy: -81.180 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -58.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -907.254031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.254031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.254031 (E_RNA) where: Base-Base interactions energy: -557.046 where: short stacking energy: -249.572 Base-Backbone interact. energy: -2.343 local terms energy: -347.864919 where: bonds (distance) C4'-P energy: -75.095 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -88.105 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -42.522 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: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -620.797421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.797421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.797421 (E_RNA) where: Base-Base interactions energy: -357.587 where: short stacking energy: -193.116 Base-Backbone interact. energy: 4.684 local terms energy: -267.894424 where: bonds (distance) C4'-P energy: -73.443 bonds (distance) P-C4' energy: -76.078 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1735.913500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.913500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.913500 (E_RNA) where: Base-Base interactions energy: -1209.825 where: short stacking energy: -511.310 Base-Backbone interact. energy: -3.384 local terms energy: -522.704801 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -93.725 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -149.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1708.007870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.007870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.007870 (E_RNA) where: Base-Base interactions energy: -1192.331 where: short stacking energy: -508.663 Base-Backbone interact. energy: -2.019 local terms energy: -513.658239 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -99.930 flat angles C4'-P-C4' energy: -99.191 flat angles P-C4'-P energy: -78.773 tors. eta vs tors. theta energy: -149.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1569.673927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.673927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.673927 (E_RNA) where: Base-Base interactions energy: -1115.281 where: short stacking energy: -461.744 Base-Backbone interact. energy: -4.080 local terms energy: -450.313019 where: bonds (distance) C4'-P energy: -89.280 bonds (distance) P-C4' energy: -79.447 flat angles C4'-P-C4' energy: -96.411 flat angles P-C4'-P energy: -68.361 tors. eta vs tors. theta energy: -116.815 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: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1500.453076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.453076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.453076 (E_RNA) where: Base-Base interactions energy: -1061.717 where: short stacking energy: -452.280 Base-Backbone interact. energy: -2.918 local terms energy: -435.817603 where: bonds (distance) C4'-P energy: -82.495 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -67.107 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: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1409.132923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.132923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.132923 (E_RNA) where: Base-Base interactions energy: -991.222 where: short stacking energy: -397.646 Base-Backbone interact. energy: -2.809 local terms energy: -415.101371 where: bonds (distance) C4'-P energy: -81.534 bonds (distance) P-C4' energy: -84.778 flat angles C4'-P-C4' energy: -97.942 flat angles P-C4'-P energy: -54.096 tors. eta vs tors. theta energy: -96.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1289.161022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.161022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.161022 (E_RNA) where: Base-Base interactions energy: -890.456 where: short stacking energy: -407.160 Base-Backbone interact. energy: -2.347 local terms energy: -396.357791 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -76.831 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -63.068 tors. eta vs tors. theta energy: -93.429 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: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1153.640215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.640215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.640215 (E_RNA) where: Base-Base interactions energy: -749.690 where: short stacking energy: -343.739 Base-Backbone interact. energy: 3.844 local terms energy: -407.794639 where: bonds (distance) C4'-P energy: -83.264 bonds (distance) P-C4' energy: -73.102 flat angles C4'-P-C4' energy: -100.461 flat angles P-C4'-P energy: -65.471 tors. eta vs tors. theta energy: -85.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1081.947862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.947862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.947862 (E_RNA) where: Base-Base interactions energy: -730.596 where: short stacking energy: -303.219 Base-Backbone interact. energy: -1.725 local terms energy: -349.626440 where: bonds (distance) C4'-P energy: -72.052 bonds (distance) P-C4' energy: -62.736 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -47.382 tors. eta vs tors. theta energy: -68.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -922.810715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.810715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.810715 (E_RNA) where: Base-Base interactions energy: -583.974 where: short stacking energy: -258.174 Base-Backbone interact. energy: -2.492 local terms energy: -336.344315 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -81.647 flat angles C4'-P-C4' energy: -88.164 flat angles P-C4'-P energy: -33.302 tors. eta vs tors. theta energy: -52.717 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: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -664.929059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.929059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.929059 (E_RNA) where: Base-Base interactions energy: -400.398 where: short stacking energy: -201.180 Base-Backbone interact. energy: 3.473 local terms energy: -268.003881 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -44.629 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -25.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1749.419270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.419270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.419270 (E_RNA) where: Base-Base interactions energy: -1251.756 where: short stacking energy: -515.370 Base-Backbone interact. energy: 4.397 local terms energy: -502.060888 where: bonds (distance) C4'-P energy: -95.897 bonds (distance) P-C4' energy: -89.690 flat angles C4'-P-C4' energy: -104.822 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -145.345 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: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1737.700341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.700341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.700341 (E_RNA) where: Base-Base interactions energy: -1217.033 where: short stacking energy: -522.975 Base-Backbone interact. energy: 2.468 local terms energy: -523.135887 where: bonds (distance) C4'-P energy: -89.949 bonds (distance) P-C4' energy: -97.362 flat angles C4'-P-C4' energy: -113.366 flat angles P-C4'-P energy: -66.754 tors. eta vs tors. theta energy: -155.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1588.715536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.715536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.715536 (E_RNA) where: Base-Base interactions energy: -1127.743 where: short stacking energy: -487.423 Base-Backbone interact. energy: -0.513 local terms energy: -460.459830 where: bonds (distance) C4'-P energy: -86.110 bonds (distance) P-C4' energy: -96.200 flat angles C4'-P-C4' energy: -91.596 flat angles P-C4'-P energy: -63.031 tors. eta vs tors. theta energy: -123.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1467.715272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.715272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.715272 (E_RNA) where: Base-Base interactions energy: -1013.344 where: short stacking energy: -438.052 Base-Backbone interact. energy: -3.651 local terms energy: -450.719976 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -96.902 flat angles C4'-P-C4' energy: -91.069 flat angles P-C4'-P energy: -66.303 tors. eta vs tors. theta energy: -110.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1439.257555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.257555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.257555 (E_RNA) where: Base-Base interactions energy: -1007.430 where: short stacking energy: -401.357 Base-Backbone interact. energy: 2.184 local terms energy: -434.011007 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -82.518 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -101.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1279.802289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.802289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.802289 (E_RNA) where: Base-Base interactions energy: -863.524 where: short stacking energy: -376.815 Base-Backbone interact. energy: -0.470 local terms energy: -415.808130 where: bonds (distance) C4'-P energy: -80.987 bonds (distance) P-C4' energy: -91.049 flat angles C4'-P-C4' energy: -85.062 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -90.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1200.268692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.268692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.268692 (E_RNA) where: Base-Base interactions energy: -789.803 where: short stacking energy: -372.375 Base-Backbone interact. energy: -1.673 local terms energy: -408.792811 where: bonds (distance) C4'-P energy: -84.878 bonds (distance) P-C4' energy: -87.369 flat angles C4'-P-C4' energy: -79.795 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -90.429 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: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1058.757837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.757837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.757837 (E_RNA) where: Base-Base interactions energy: -719.042 where: short stacking energy: -297.128 Base-Backbone interact. energy: -0.948 local terms energy: -338.768300 where: bonds (distance) C4'-P energy: -74.358 bonds (distance) P-C4' energy: -83.282 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -48.767 tors. eta vs tors. theta energy: -47.318 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: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -904.082378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.082378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.082378 (E_RNA) where: Base-Base interactions energy: -584.577 where: short stacking energy: -273.036 Base-Backbone interact. energy: 0.162 local terms energy: -319.667347 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -75.116 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -50.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -717.505752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.505752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.505752 (E_RNA) where: Base-Base interactions energy: -432.267 where: short stacking energy: -212.977 Base-Backbone interact. energy: -2.181 local terms energy: -283.058060 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -86.214 flat angles C4'-P-C4' energy: -66.024 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: -23.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1752.698193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.698193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.698193 (E_RNA) where: Base-Base interactions energy: -1246.746 where: short stacking energy: -501.540 Base-Backbone interact. energy: -1.987 local terms energy: -503.965781 where: bonds (distance) C4'-P energy: -82.741 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -103.816 flat angles P-C4'-P energy: -72.684 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: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1728.483081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.483081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.483081 (E_RNA) where: Base-Base interactions energy: -1202.208 where: short stacking energy: -508.923 Base-Backbone interact. energy: -0.506 local terms energy: -525.768648 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -90.342 flat angles C4'-P-C4' energy: -110.636 flat angles P-C4'-P energy: -80.624 tors. eta vs tors. theta energy: -157.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1583.567465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.567465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.567465 (E_RNA) where: Base-Base interactions energy: -1118.646 where: short stacking energy: -462.935 Base-Backbone interact. energy: -1.334 local terms energy: -463.586599 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -98.891 flat angles P-C4'-P energy: -66.072 tors. eta vs tors. theta energy: -119.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1476.501678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.501678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.501678 (E_RNA) where: Base-Base interactions energy: -1045.623 where: short stacking energy: -438.565 Base-Backbone interact. energy: 1.121 local terms energy: -432.000119 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -64.381 tors. eta vs tors. theta energy: -100.808 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: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1400.907777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.907777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.907777 (E_RNA) where: Base-Base interactions energy: -1002.231 where: short stacking energy: -419.630 Base-Backbone interact. energy: -1.408 local terms energy: -397.268617 where: bonds (distance) C4'-P energy: -80.844 bonds (distance) P-C4' energy: -74.009 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -100.241 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: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1338.796143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.796143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.796143 (E_RNA) where: Base-Base interactions energy: -902.090 where: short stacking energy: -409.848 Base-Backbone interact. energy: -0.811 local terms energy: -435.895497 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -72.212 flat angles C4'-P-C4' energy: -90.627 flat angles P-C4'-P energy: -68.353 tors. eta vs tors. theta energy: -107.038 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1195.813928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.813928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.813928 (E_RNA) where: Base-Base interactions energy: -799.209 where: short stacking energy: -360.265 Base-Backbone interact. energy: -2.503 local terms energy: -394.101945 where: bonds (distance) C4'-P energy: -73.254 bonds (distance) P-C4' energy: -73.274 flat angles C4'-P-C4' energy: -105.327 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -85.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1109.731101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.731101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.731101 (E_RNA) where: Base-Base interactions energy: -735.248 where: short stacking energy: -335.359 Base-Backbone interact. energy: -1.643 local terms energy: -372.840529 where: bonds (distance) C4'-P energy: -80.499 bonds (distance) P-C4' energy: -60.948 flat angles C4'-P-C4' energy: -92.431 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -80.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -899.352682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.352682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.352682 (E_RNA) where: Base-Base interactions energy: -594.159 where: short stacking energy: -266.465 Base-Backbone interact. energy: -0.561 local terms energy: -304.632797 where: bonds (distance) C4'-P energy: -77.382 bonds (distance) P-C4' energy: -60.607 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: -57.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -701.240845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.240845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.240845 (E_RNA) where: Base-Base interactions energy: -406.573 where: short stacking energy: -219.246 Base-Backbone interact. energy: 1.652 local terms energy: -296.319526 where: bonds (distance) C4'-P energy: -83.077 bonds (distance) P-C4' energy: -70.946 flat angles C4'-P-C4' energy: -77.632 flat angles P-C4'-P energy: -34.640 tors. eta vs tors. theta energy: -30.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1757.506883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.506883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.506883 (E_RNA) where: Base-Base interactions energy: -1244.888 where: short stacking energy: -538.606 Base-Backbone interact. energy: -3.081 local terms energy: -509.538285 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -97.439 flat angles C4'-P-C4' energy: -110.682 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -145.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1706.445813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.445813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.445813 (E_RNA) where: Base-Base interactions energy: -1193.391 where: short stacking energy: -507.489 Base-Backbone interact. energy: -0.315 local terms energy: -512.739512 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -95.763 flat angles C4'-P-C4' energy: -107.812 flat angles P-C4'-P energy: -73.969 tors. eta vs tors. theta energy: -149.329 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: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1577.966098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.966098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.966098 (E_RNA) where: Base-Base interactions energy: -1098.035 where: short stacking energy: -430.181 Base-Backbone interact. energy: -3.174 local terms energy: -476.757566 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -96.938 flat angles P-C4'-P energy: -81.236 tors. eta vs tors. theta energy: -110.141 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: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1480.199719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.199719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.199719 (E_RNA) where: Base-Base interactions energy: -1065.112 where: short stacking energy: -447.212 Base-Backbone interact. energy: -1.443 local terms energy: -413.644670 where: bonds (distance) C4'-P energy: -80.852 bonds (distance) P-C4' energy: -63.032 flat angles C4'-P-C4' energy: -102.304 flat angles P-C4'-P energy: -51.696 tors. eta vs tors. theta energy: -115.761 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: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1456.848990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.848990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.848990 (E_RNA) where: Base-Base interactions energy: -1030.532 where: short stacking energy: -410.805 Base-Backbone interact. energy: -3.597 local terms energy: -422.719614 where: bonds (distance) C4'-P energy: -79.183 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -98.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1317.700040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.700040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.700040 (E_RNA) where: Base-Base interactions energy: -904.198 where: short stacking energy: -388.730 Base-Backbone interact. energy: 2.592 local terms energy: -416.093558 where: bonds (distance) C4'-P energy: -83.296 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -94.716 flat angles P-C4'-P energy: -65.131 tors. eta vs tors. theta energy: -97.825 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: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1166.969678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.969678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.969678 (E_RNA) where: Base-Base interactions energy: -774.680 where: short stacking energy: -307.282 Base-Backbone interact. energy: -1.903 local terms energy: -390.386424 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -84.823 flat angles P-C4'-P energy: -54.305 tors. eta vs tors. theta energy: -83.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1118.539335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.539335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.539335 (E_RNA) where: Base-Base interactions energy: -734.359 where: short stacking energy: -304.529 Base-Backbone interact. energy: 0.612 local terms energy: -384.791551 where: bonds (distance) C4'-P energy: -68.450 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -89.195 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -79.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -879.682561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.682561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.682561 (E_RNA) where: Base-Base interactions energy: -530.550 where: short stacking energy: -236.876 Base-Backbone interact. energy: 0.052 local terms energy: -349.184024 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -86.589 flat angles C4'-P-C4' energy: -76.827 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -48.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -731.170838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.170838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.170838 (E_RNA) where: Base-Base interactions energy: -408.786 where: short stacking energy: -194.259 Base-Backbone interact. energy: 0.652 local terms energy: -323.037279 where: bonds (distance) C4'-P energy: -84.460 bonds (distance) P-C4' energy: -91.500 flat angles C4'-P-C4' energy: -84.636 flat angles P-C4'-P energy: -41.682 tors. eta vs tors. theta energy: -20.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1737.925240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.925240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.925240 (E_RNA) where: Base-Base interactions energy: -1234.102 where: short stacking energy: -517.818 Base-Backbone interact. energy: -1.984 local terms energy: -501.838931 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -100.143 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -58.244 tors. eta vs tors. theta energy: -152.524 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: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1742.450700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.450700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.450700 (E_RNA) where: Base-Base interactions energy: -1217.969 where: short stacking energy: -536.147 Base-Backbone interact. energy: -3.389 local terms energy: -521.091873 where: bonds (distance) C4'-P energy: -90.960 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -106.223 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -158.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1581.267380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.267380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.267380 (E_RNA) where: Base-Base interactions energy: -1101.018 where: short stacking energy: -452.718 Base-Backbone interact. energy: 0.072 local terms energy: -480.321251 where: bonds (distance) C4'-P energy: -86.156 bonds (distance) P-C4' energy: -100.068 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -118.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1489.433480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.433480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.433480 (E_RNA) where: Base-Base interactions energy: -1058.143 where: short stacking energy: -430.188 Base-Backbone interact. energy: -2.052 local terms energy: -429.238667 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -87.237 flat angles C4'-P-C4' energy: -95.664 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -107.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1434.732417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.732417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.732417 (E_RNA) where: Base-Base interactions energy: -1000.355 where: short stacking energy: -388.720 Base-Backbone interact. energy: -1.353 local terms energy: -433.024330 where: bonds (distance) C4'-P energy: -91.045 bonds (distance) P-C4' energy: -97.928 flat angles C4'-P-C4' energy: -97.074 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -87.575 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: 363 Temperature: 1.150000 Total energy: -1275.905494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.905494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.905494 (E_RNA) where: Base-Base interactions energy: -879.844 where: short stacking energy: -378.117 Base-Backbone interact. energy: -2.035 local terms energy: -394.026215 where: bonds (distance) C4'-P energy: -73.234 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -86.424 flat angles P-C4'-P energy: -55.588 tors. eta vs tors. theta energy: -91.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1186.923186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.923186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.923186 (E_RNA) where: Base-Base interactions energy: -791.883 where: short stacking energy: -340.547 Base-Backbone interact. energy: -1.794 local terms energy: -393.245359 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -91.200 flat angles C4'-P-C4' energy: -95.989 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -84.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1149.199108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.199108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.199108 (E_RNA) where: Base-Base interactions energy: -763.268 where: short stacking energy: -326.624 Base-Backbone interact. energy: 1.642 local terms energy: -387.573178 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -90.712 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -81.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -895.933618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.933618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.933618 (E_RNA) where: Base-Base interactions energy: -553.834 where: short stacking energy: -239.017 Base-Backbone interact. energy: -0.405 local terms energy: -341.695164 where: bonds (distance) C4'-P energy: -77.697 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -80.509 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -50.571 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: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -754.792800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.792800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.792800 (E_RNA) where: Base-Base interactions energy: -442.904 where: short stacking energy: -192.300 Base-Backbone interact. energy: -2.220 local terms energy: -309.668687 where: bonds (distance) C4'-P energy: -83.655 bonds (distance) P-C4' energy: -81.700 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: -28.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1755.923986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.923986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.923986 (E_RNA) where: Base-Base interactions energy: -1242.997 where: short stacking energy: -520.830 Base-Backbone interact. energy: -5.673 local terms energy: -507.253783 where: bonds (distance) C4'-P energy: -86.447 bonds (distance) P-C4' energy: -93.980 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -73.101 tors. eta vs tors. theta energy: -151.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1699.124318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.124318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.124318 (E_RNA) where: Base-Base interactions energy: -1165.911 where: short stacking energy: -502.980 Base-Backbone interact. energy: -0.913 local terms energy: -532.300920 where: bonds (distance) C4'-P energy: -91.558 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -111.886 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -155.594 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: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1576.418102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.418102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.418102 (E_RNA) where: Base-Base interactions energy: -1107.591 where: short stacking energy: -439.886 Base-Backbone interact. energy: -1.376 local terms energy: -467.451095 where: bonds (distance) C4'-P energy: -90.243 bonds (distance) P-C4' energy: -99.930 flat angles C4'-P-C4' energy: -100.257 flat angles P-C4'-P energy: -67.517 tors. eta vs tors. theta energy: -109.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1492.640774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.640774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.640774 (E_RNA) where: Base-Base interactions energy: -1047.783 where: short stacking energy: -436.426 Base-Backbone interact. energy: -1.617 local terms energy: -443.240529 where: bonds (distance) C4'-P energy: -68.512 bonds (distance) P-C4' energy: -92.770 flat angles C4'-P-C4' energy: -97.752 flat angles P-C4'-P energy: -76.894 tors. eta vs tors. theta energy: -107.313 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: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1422.927299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.927299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.927299 (E_RNA) where: Base-Base interactions energy: -1005.123 where: short stacking energy: -389.317 Base-Backbone interact. energy: 1.011 local terms energy: -418.814849 where: bonds (distance) C4'-P energy: -92.648 bonds (distance) P-C4' energy: -86.056 flat angles C4'-P-C4' energy: -89.419 flat angles P-C4'-P energy: -57.147 tors. eta vs tors. theta energy: -93.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1269.713028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.713028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.713028 (E_RNA) where: Base-Base interactions energy: -864.671 where: short stacking energy: -363.555 Base-Backbone interact. energy: -0.970 local terms energy: -404.071773 where: bonds (distance) C4'-P energy: -84.165 bonds (distance) P-C4' energy: -79.036 flat angles C4'-P-C4' energy: -85.052 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -92.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1200.125337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.125337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.125337 (E_RNA) where: Base-Base interactions energy: -819.917 where: short stacking energy: -370.850 Base-Backbone interact. energy: -1.140 local terms energy: -379.068061 where: bonds (distance) C4'-P energy: -53.459 bonds (distance) P-C4' energy: -87.533 flat angles C4'-P-C4' energy: -81.428 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -88.592 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: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1111.578053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.578053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.578053 (E_RNA) where: Base-Base interactions energy: -733.391 where: short stacking energy: -324.415 Base-Backbone interact. energy: 0.106 local terms energy: -378.293270 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -66.992 flat angles P-C4'-P energy: -68.177 tors. eta vs tors. theta energy: -70.505 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: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -930.500885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.500885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.500885 (E_RNA) where: Base-Base interactions energy: -603.560 where: short stacking energy: -288.225 Base-Backbone interact. energy: 6.783 local terms energy: -333.723932 where: bonds (distance) C4'-P energy: -84.628 bonds (distance) P-C4' energy: -83.107 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -51.826 tors. eta vs tors. theta energy: -57.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -693.475772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.475772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.475772 (E_RNA) where: Base-Base interactions energy: -417.170 where: short stacking energy: -205.875 Base-Backbone interact. energy: -1.337 local terms energy: -274.968739 where: bonds (distance) C4'-P energy: -74.614 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -67.080 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -18.524 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: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1726.537511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.537511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.537511 (E_RNA) where: Base-Base interactions energy: -1228.220 where: short stacking energy: -512.614 Base-Backbone interact. energy: -2.535 local terms energy: -495.782958 where: bonds (distance) C4'-P energy: -90.507 bonds (distance) P-C4' energy: -91.696 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -73.123 tors. eta vs tors. theta energy: -139.273 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: 365 Temperature: 0.950000 Total energy: -1712.639410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.639410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.639410 (E_RNA) where: Base-Base interactions energy: -1196.720 where: short stacking energy: -503.716 Base-Backbone interact. energy: -0.660 local terms energy: -515.258888 where: bonds (distance) C4'-P energy: -92.954 bonds (distance) P-C4' energy: -95.771 flat angles C4'-P-C4' energy: -101.813 flat angles P-C4'-P energy: -71.156 tors. eta vs tors. theta energy: -153.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1601.096238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.096238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.096238 (E_RNA) where: Base-Base interactions energy: -1123.375 where: short stacking energy: -469.475 Base-Backbone interact. energy: -0.303 local terms energy: -477.418669 where: bonds (distance) C4'-P energy: -89.970 bonds (distance) P-C4' energy: -95.459 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -119.168 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: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1477.395769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.395769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.395769 (E_RNA) where: Base-Base interactions energy: -1027.917 where: short stacking energy: -446.839 Base-Backbone interact. energy: -2.040 local terms energy: -447.438531 where: bonds (distance) C4'-P energy: -97.342 bonds (distance) P-C4' energy: -79.585 flat angles C4'-P-C4' energy: -87.802 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -113.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1420.622990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.622990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.622990 (E_RNA) where: Base-Base interactions energy: -988.071 where: short stacking energy: -413.177 Base-Backbone interact. energy: -1.206 local terms energy: -431.345731 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -87.510 flat angles C4'-P-C4' energy: -106.767 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -105.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1305.175418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.175418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.175418 (E_RNA) where: Base-Base interactions energy: -883.699 where: short stacking energy: -372.692 Base-Backbone interact. energy: -3.280 local terms energy: -418.196151 where: bonds (distance) C4'-P energy: -91.871 bonds (distance) P-C4' energy: -93.440 flat angles C4'-P-C4' energy: -92.327 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -96.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1233.601739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.601739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.601739 (E_RNA) where: Base-Base interactions energy: -837.480 where: short stacking energy: -363.538 Base-Backbone interact. energy: 0.621 local terms energy: -396.743421 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -71.123 flat angles C4'-P-C4' energy: -90.563 flat angles P-C4'-P energy: -59.268 tors. eta vs tors. theta energy: -85.084 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: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1135.633296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.633296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.633296 (E_RNA) where: Base-Base interactions energy: -779.835 where: short stacking energy: -353.639 Base-Backbone interact. energy: 0.460 local terms energy: -356.257887 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -75.211 flat angles C4'-P-C4' energy: -80.336 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -79.903 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: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -937.034041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.034041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.034041 (E_RNA) where: Base-Base interactions energy: -591.125 where: short stacking energy: -245.198 Base-Backbone interact. energy: -1.922 local terms energy: -343.987406 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -82.114 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -61.402 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: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -762.163272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.163272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.163272 (E_RNA) where: Base-Base interactions energy: -451.553 where: short stacking energy: -231.789 Base-Backbone interact. energy: 3.085 local terms energy: -313.695610 where: bonds (distance) C4'-P energy: -73.672 bonds (distance) P-C4' energy: -77.899 flat angles C4'-P-C4' energy: -88.840 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -29.959 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: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1741.813778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.813778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.813778 (E_RNA) where: Base-Base interactions energy: -1215.284 where: short stacking energy: -521.935 Base-Backbone interact. energy: -2.185 local terms energy: -524.344364 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -99.090 flat angles C4'-P-C4' energy: -109.720 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -149.957 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: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1713.019706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.019706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.019706 (E_RNA) where: Base-Base interactions energy: -1206.745 where: short stacking energy: -516.282 Base-Backbone interact. energy: 3.990 local terms energy: -510.265434 where: bonds (distance) C4'-P energy: -91.722 bonds (distance) P-C4' energy: -91.468 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -71.416 tors. eta vs tors. theta energy: -147.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1602.144526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.144526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.144526 (E_RNA) where: Base-Base interactions energy: -1148.277 where: short stacking energy: -472.135 Base-Backbone interact. energy: 0.309 local terms energy: -454.176297 where: bonds (distance) C4'-P energy: -81.731 bonds (distance) P-C4' energy: -94.314 flat angles C4'-P-C4' energy: -103.980 flat angles P-C4'-P energy: -59.007 tors. eta vs tors. theta energy: -115.145 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: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1503.305432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.305432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.305432 (E_RNA) where: Base-Base interactions energy: -1043.618 where: short stacking energy: -436.993 Base-Backbone interact. energy: -1.471 local terms energy: -458.216695 where: bonds (distance) C4'-P energy: -94.853 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -102.375 flat angles P-C4'-P energy: -59.041 tors. eta vs tors. theta energy: -123.154 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: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1419.679248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.679248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.679248 (E_RNA) where: Base-Base interactions energy: -987.839 where: short stacking energy: -405.979 Base-Backbone interact. energy: 1.143 local terms energy: -432.983744 where: bonds (distance) C4'-P energy: -88.470 bonds (distance) P-C4' energy: -88.955 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -95.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1302.676164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.676164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.676164 (E_RNA) where: Base-Base interactions energy: -895.694 where: short stacking energy: -376.103 Base-Backbone interact. energy: 0.444 local terms energy: -407.425829 where: bonds (distance) C4'-P energy: -83.330 bonds (distance) P-C4' energy: -92.670 flat angles C4'-P-C4' energy: -81.997 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -94.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1255.334216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.334216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.334216 (E_RNA) where: Base-Base interactions energy: -867.733 where: short stacking energy: -375.468 Base-Backbone interact. energy: -0.569 local terms energy: -387.031772 where: bonds (distance) C4'-P energy: -82.006 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -92.298 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -83.820 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: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1101.804135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.804135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.804135 (E_RNA) where: Base-Base interactions energy: -709.539 where: short stacking energy: -316.796 Base-Backbone interact. energy: -1.211 local terms energy: -391.054003 where: bonds (distance) C4'-P energy: -94.011 bonds (distance) P-C4' energy: -91.504 flat angles C4'-P-C4' energy: -76.908 flat angles P-C4'-P energy: -56.541 tors. eta vs tors. theta energy: -72.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -740.876954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.876954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.876954 (E_RNA) where: Base-Base interactions energy: -431.729 where: short stacking energy: -228.378 Base-Backbone interact. energy: 4.392 local terms energy: -313.540135 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -83.859 flat angles C4'-P-C4' energy: -81.959 flat angles P-C4'-P energy: -42.990 tors. eta vs tors. theta energy: -39.544 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: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -876.158681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.158681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.158681 (E_RNA) where: Base-Base interactions energy: -549.198 where: short stacking energy: -258.286 Base-Backbone interact. energy: -1.356 local terms energy: -325.604081 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -94.607 flat angles C4'-P-C4' energy: -85.561 flat angles P-C4'-P energy: -39.462 tors. eta vs tors. theta energy: -42.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1737.358379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.358379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.358379 (E_RNA) where: Base-Base interactions energy: -1203.485 where: short stacking energy: -511.042 Base-Backbone interact. energy: -0.753 local terms energy: -533.119714 where: bonds (distance) C4'-P energy: -100.859 bonds (distance) P-C4' energy: -104.128 flat angles C4'-P-C4' energy: -100.654 flat angles P-C4'-P energy: -81.610 tors. eta vs tors. theta energy: -145.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1728.787134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.787134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.787134 (E_RNA) where: Base-Base interactions energy: -1207.260 where: short stacking energy: -514.130 Base-Backbone interact. energy: -3.630 local terms energy: -517.897785 where: bonds (distance) C4'-P energy: -91.697 bonds (distance) P-C4' energy: -99.626 flat angles C4'-P-C4' energy: -103.760 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -148.164 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1598.694993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.694993 (E_RNA) where: Base-Base interactions energy: -1146.925 where: short stacking energy: -459.197 Base-Backbone interact. energy: -1.811 local terms energy: -449.958557 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -117.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1492.273010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.273010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.273010 (E_RNA) where: Base-Base interactions energy: -1032.406 where: short stacking energy: -433.868 Base-Backbone interact. energy: -0.347 local terms energy: -459.520495 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -92.505 flat angles C4'-P-C4' energy: -97.566 flat angles P-C4'-P energy: -66.068 tors. eta vs tors. theta energy: -119.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1398.337798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.337798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.337798 (E_RNA) where: Base-Base interactions energy: -995.144 where: short stacking energy: -394.451 Base-Backbone interact. energy: 0.416 local terms energy: -403.610223 where: bonds (distance) C4'-P energy: -73.619 bonds (distance) P-C4' energy: -90.553 flat angles C4'-P-C4' energy: -88.488 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -93.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1295.544033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.544033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.544033 (E_RNA) where: Base-Base interactions energy: -871.354 where: short stacking energy: -386.229 Base-Backbone interact. energy: 0.062 local terms energy: -424.252067 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -99.302 flat angles C4'-P-C4' energy: -90.542 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -96.729 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: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1283.007358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.007358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.007358 (E_RNA) where: Base-Base interactions energy: -887.871 where: short stacking energy: -372.898 Base-Backbone interact. energy: -1.489 local terms energy: -393.646991 where: bonds (distance) C4'-P energy: -76.235 bonds (distance) P-C4' energy: -85.220 flat angles C4'-P-C4' energy: -78.170 flat angles P-C4'-P energy: -65.330 tors. eta vs tors. theta energy: -88.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1040.260638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.260638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.260638 (E_RNA) where: Base-Base interactions energy: -684.135 where: short stacking energy: -307.863 Base-Backbone interact. energy: 0.390 local terms energy: -356.516376 where: bonds (distance) C4'-P energy: -85.137 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -85.788 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: -62.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -750.075413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.075413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.075413 (E_RNA) where: Base-Base interactions energy: -448.363 where: short stacking energy: -225.160 Base-Backbone interact. energy: -1.354 local terms energy: -300.357785 where: bonds (distance) C4'-P energy: -68.221 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -42.963 tors. eta vs tors. theta energy: -31.545 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: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -824.308040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.308040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.308040 (E_RNA) where: Base-Base interactions energy: -523.607 where: short stacking energy: -237.118 Base-Backbone interact. energy: 3.255 local terms energy: -303.956702 where: bonds (distance) C4'-P energy: -72.961 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -50.194 tors. eta vs tors. theta energy: -38.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1772.637975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.637975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.637975 (E_RNA) where: Base-Base interactions energy: -1268.378 where: short stacking energy: -528.232 Base-Backbone interact. energy: 2.520 local terms energy: -506.780255 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -98.768 flat angles C4'-P-C4' energy: -107.990 flat angles P-C4'-P energy: -71.237 tors. eta vs tors. theta energy: -145.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1717.813800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.813800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.813800 (E_RNA) where: Base-Base interactions energy: -1200.622 where: short stacking energy: -494.520 Base-Backbone interact. energy: -3.115 local terms energy: -514.076817 where: bonds (distance) C4'-P energy: -91.016 bonds (distance) P-C4' energy: -90.497 flat angles C4'-P-C4' energy: -108.944 flat angles P-C4'-P energy: -78.256 tors. eta vs tors. theta energy: -145.364 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: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1582.997874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.997874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.997874 (E_RNA) where: Base-Base interactions energy: -1129.023 where: short stacking energy: -452.119 Base-Backbone interact. energy: -3.683 local terms energy: -450.292293 where: bonds (distance) C4'-P energy: -75.686 bonds (distance) P-C4' energy: -89.273 flat angles C4'-P-C4' energy: -101.381 flat angles P-C4'-P energy: -64.586 tors. eta vs tors. theta energy: -119.366 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: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1453.113261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.113261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.113261 (E_RNA) where: Base-Base interactions energy: -1000.919 where: short stacking energy: -432.017 Base-Backbone interact. energy: -4.120 local terms energy: -448.074484 where: bonds (distance) C4'-P energy: -81.204 bonds (distance) P-C4' energy: -88.500 flat angles C4'-P-C4' energy: -102.256 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -104.093 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: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1407.647633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.647633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.647633 (E_RNA) where: Base-Base interactions energy: -981.547 where: short stacking energy: -399.879 Base-Backbone interact. energy: 2.398 local terms energy: -428.498830 where: bonds (distance) C4'-P energy: -83.499 bonds (distance) P-C4' energy: -95.838 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -66.651 tors. eta vs tors. theta energy: -97.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1355.418553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.418553 (E_RNA) where: Base-Base interactions energy: -940.417 where: short stacking energy: -391.366 Base-Backbone interact. energy: -1.073 local terms energy: -413.928320 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -80.046 flat angles C4'-P-C4' energy: -100.317 flat angles P-C4'-P energy: -50.161 tors. eta vs tors. theta energy: -98.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1242.218871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.218871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.218871 (E_RNA) where: Base-Base interactions energy: -845.447 where: short stacking energy: -349.781 Base-Backbone interact. energy: -2.901 local terms energy: -393.871234 where: bonds (distance) C4'-P energy: -81.894 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -97.602 flat angles P-C4'-P energy: -59.195 tors. eta vs tors. theta energy: -81.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1012.828127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.828127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.828127 (E_RNA) where: Base-Base interactions energy: -680.890 where: short stacking energy: -311.298 Base-Backbone interact. energy: 5.512 local terms energy: -337.449828 where: bonds (distance) C4'-P energy: -72.759 bonds (distance) P-C4' energy: -77.950 flat angles C4'-P-C4' energy: -72.221 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -69.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -858.889038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.889038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.889038 (E_RNA) where: Base-Base interactions energy: -537.390 where: short stacking energy: -234.968 Base-Backbone interact. energy: -1.766 local terms energy: -319.733634 where: bonds (distance) C4'-P energy: -79.425 bonds (distance) P-C4' energy: -77.580 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -50.927 tors. eta vs tors. theta energy: -41.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -760.966795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.966795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.966795 (E_RNA) where: Base-Base interactions energy: -478.762 where: short stacking energy: -233.077 Base-Backbone interact. energy: 0.082 local terms energy: -282.286489 where: bonds (distance) C4'-P energy: -60.006 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -77.922 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -29.876 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: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1769.548409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.548409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.548409 (E_RNA) where: Base-Base interactions energy: -1226.107 where: short stacking energy: -502.945 Base-Backbone interact. energy: -1.688 local terms energy: -541.752736 where: bonds (distance) C4'-P energy: -104.827 bonds (distance) P-C4' energy: -112.163 flat angles C4'-P-C4' energy: -107.704 flat angles P-C4'-P energy: -75.375 tors. eta vs tors. theta energy: -141.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1705.385491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.385491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.385491 (E_RNA) where: Base-Base interactions energy: -1184.034 where: short stacking energy: -503.551 Base-Backbone interact. energy: -3.734 local terms energy: -517.617061 where: bonds (distance) C4'-P energy: -101.808 bonds (distance) P-C4' energy: -90.966 flat angles C4'-P-C4' energy: -101.218 flat angles P-C4'-P energy: -74.994 tors. eta vs tors. theta energy: -148.632 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: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1573.085616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.085616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.085616 (E_RNA) where: Base-Base interactions energy: -1092.309 where: short stacking energy: -454.798 Base-Backbone interact. energy: -0.507 local terms energy: -480.269971 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -100.516 flat angles C4'-P-C4' energy: -93.987 flat angles P-C4'-P energy: -64.322 tors. eta vs tors. theta energy: -123.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1482.521941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.521941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.521941 (E_RNA) where: Base-Base interactions energy: -1030.985 where: short stacking energy: -432.105 Base-Backbone interact. energy: 5.028 local terms energy: -456.564496 where: bonds (distance) C4'-P energy: -92.864 bonds (distance) P-C4' energy: -86.812 flat angles C4'-P-C4' energy: -92.259 flat angles P-C4'-P energy: -66.662 tors. eta vs tors. theta energy: -117.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1455.405533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.405533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.405533 (E_RNA) where: Base-Base interactions energy: -1005.401 where: short stacking energy: -413.633 Base-Backbone interact. energy: -0.345 local terms energy: -449.660000 where: bonds (distance) C4'-P energy: -89.502 bonds (distance) P-C4' energy: -85.127 flat angles C4'-P-C4' energy: -97.228 flat angles P-C4'-P energy: -65.833 tors. eta vs tors. theta energy: -111.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1354.314281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.314281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.314281 (E_RNA) where: Base-Base interactions energy: -939.327 where: short stacking energy: -356.614 Base-Backbone interact. energy: -4.011 local terms energy: -410.976488 where: bonds (distance) C4'-P energy: -89.442 bonds (distance) P-C4' energy: -89.834 flat angles C4'-P-C4' energy: -91.443 flat angles P-C4'-P energy: -58.392 tors. eta vs tors. theta energy: -81.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1268.230315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.230315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.230315 (E_RNA) where: Base-Base interactions energy: -885.292 where: short stacking energy: -362.641 Base-Backbone interact. energy: -0.360 local terms energy: -382.578564 where: bonds (distance) C4'-P energy: -76.145 bonds (distance) P-C4' energy: -71.692 flat angles C4'-P-C4' energy: -88.015 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -95.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1060.881160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.881160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.881160 (E_RNA) where: Base-Base interactions energy: -693.830 where: short stacking energy: -293.745 Base-Backbone interact. energy: -2.312 local terms energy: -364.738745 where: bonds (distance) C4'-P energy: -86.520 bonds (distance) P-C4' energy: -86.317 flat angles C4'-P-C4' energy: -79.378 flat angles P-C4'-P energy: -54.911 tors. eta vs tors. theta energy: -57.613 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: 369 Temperature: 1.300000 Total energy: -870.205226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.205226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.205226 (E_RNA) where: Base-Base interactions energy: -539.061 where: short stacking energy: -251.020 Base-Backbone interact. energy: -0.850 local terms energy: -330.294423 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -84.986 flat angles P-C4'-P energy: -48.608 tors. eta vs tors. theta energy: -53.293 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: 10, replica: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -791.600384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.600384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.600384 (E_RNA) where: Base-Base interactions energy: -488.573 where: short stacking energy: -231.664 Base-Backbone interact. energy: 4.467 local terms energy: -307.494546 where: bonds (distance) C4'-P energy: -73.481 bonds (distance) P-C4' energy: -92.650 flat angles C4'-P-C4' energy: -75.606 flat angles P-C4'-P energy: -23.200 tors. eta vs tors. theta energy: -42.557 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: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1786.434910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.434910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.434910 (E_RNA) where: Base-Base interactions energy: -1267.316 where: short stacking energy: -522.087 Base-Backbone interact. energy: -2.752 local terms energy: -516.366242 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -95.452 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -146.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1698.443948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.443948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.443948 (E_RNA) where: Base-Base interactions energy: -1193.641 where: short stacking energy: -484.454 Base-Backbone interact. energy: -0.793 local terms energy: -504.010084 where: bonds (distance) C4'-P energy: -94.028 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -111.240 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -135.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1615.380880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.380880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.380880 (E_RNA) where: Base-Base interactions energy: -1132.448 where: short stacking energy: -478.527 Base-Backbone interact. energy: -1.818 local terms energy: -481.115242 where: bonds (distance) C4'-P energy: -88.671 bonds (distance) P-C4' energy: -89.152 flat angles C4'-P-C4' energy: -107.831 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -130.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1468.546946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.546946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.546946 (E_RNA) where: Base-Base interactions energy: -1024.017 where: short stacking energy: -418.206 Base-Backbone interact. energy: 0.682 local terms energy: -445.211126 where: bonds (distance) C4'-P energy: -89.072 bonds (distance) P-C4' energy: -105.888 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -105.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1425.770886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.770886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.770886 (E_RNA) where: Base-Base interactions energy: -1000.509 where: short stacking energy: -427.685 Base-Backbone interact. energy: -1.753 local terms energy: -423.508770 where: bonds (distance) C4'-P energy: -92.043 bonds (distance) P-C4' energy: -78.462 flat angles C4'-P-C4' energy: -91.218 flat angles P-C4'-P energy: -63.567 tors. eta vs tors. theta energy: -98.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1340.208764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.208764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.208764 (E_RNA) where: Base-Base interactions energy: -915.529 where: short stacking energy: -369.871 Base-Backbone interact. energy: -1.795 local terms energy: -422.885022 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -85.288 flat angles C4'-P-C4' energy: -110.333 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -95.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1266.374297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.374297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.374297 (E_RNA) where: Base-Base interactions energy: -908.640 where: short stacking energy: -361.159 Base-Backbone interact. energy: -1.842 local terms energy: -355.893083 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -88.159 flat angles C4'-P-C4' energy: -70.910 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -82.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1057.789187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.789187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.789187 (E_RNA) where: Base-Base interactions energy: -693.046 where: short stacking energy: -298.341 Base-Backbone interact. energy: 1.804 local terms energy: -366.547956 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -92.268 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -48.191 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: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -883.622097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.622097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.622097 (E_RNA) where: Base-Base interactions energy: -559.950 where: short stacking energy: -264.027 Base-Backbone interact. energy: 0.340 local terms energy: -324.012134 where: bonds (distance) C4'-P energy: -73.457 bonds (distance) P-C4' energy: -77.091 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -57.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -799.102627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.102627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.102627 (E_RNA) where: Base-Base interactions energy: -490.827 where: short stacking energy: -242.792 Base-Backbone interact. energy: -0.755 local terms energy: -307.520502 where: bonds (distance) C4'-P energy: -61.259 bonds (distance) P-C4' energy: -79.920 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -54.245 tors. eta vs tors. theta energy: -37.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1809.334392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.334392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.334392 (E_RNA) where: Base-Base interactions energy: -1276.602 where: short stacking energy: -520.768 Base-Backbone interact. energy: -3.614 local terms energy: -529.119066 where: bonds (distance) C4'-P energy: -96.099 bonds (distance) P-C4' energy: -94.929 flat angles C4'-P-C4' energy: -110.425 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -152.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1693.503081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.503081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.503081 (E_RNA) where: Base-Base interactions energy: -1198.869 where: short stacking energy: -484.454 Base-Backbone interact. energy: -0.665 local terms energy: -493.968875 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -92.294 flat angles C4'-P-C4' energy: -106.883 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: -134.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1603.711503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.711503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.711503 (E_RNA) where: Base-Base interactions energy: -1122.229 where: short stacking energy: -468.275 Base-Backbone interact. energy: -3.612 local terms energy: -477.869780 where: bonds (distance) C4'-P energy: -86.876 bonds (distance) P-C4' energy: -96.915 flat angles C4'-P-C4' energy: -102.326 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -123.636 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: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1463.666280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.666280 (E_RNA) where: Base-Base interactions energy: -1033.461 where: short stacking energy: -415.487 Base-Backbone interact. energy: -0.575 local terms energy: -429.629913 where: bonds (distance) C4'-P energy: -75.582 bonds (distance) P-C4' energy: -83.288 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -109.620 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: 371 Temperature: 1.100000 Total energy: -1453.981142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.981142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.981142 (E_RNA) where: Base-Base interactions energy: -1018.183 where: short stacking energy: -434.955 Base-Backbone interact. energy: 3.948 local terms energy: -439.745443 where: bonds (distance) C4'-P energy: -85.373 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -101.309 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: -104.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1321.497334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.497334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.497334 (E_RNA) where: Base-Base interactions energy: -911.285 where: short stacking energy: -396.667 Base-Backbone interact. energy: 2.110 local terms energy: -412.322425 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -86.115 flat angles C4'-P-C4' energy: -99.066 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -108.254 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: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1302.947304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.947304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.947304 (E_RNA) where: Base-Base interactions energy: -892.271 where: short stacking energy: -383.126 Base-Backbone interact. energy: -1.543 local terms energy: -409.133520 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -84.527 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -99.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1067.818445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.818445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.818445 (E_RNA) where: Base-Base interactions energy: -713.661 where: short stacking energy: -338.578 Base-Backbone interact. energy: 1.115 local terms energy: -355.272618 where: bonds (distance) C4'-P energy: -58.796 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: -77.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -960.010979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.010979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.010979 (E_RNA) where: Base-Base interactions energy: -625.659 where: short stacking energy: -272.101 Base-Backbone interact. energy: -2.726 local terms energy: -331.626478 where: bonds (distance) C4'-P energy: -78.953 bonds (distance) P-C4' energy: -84.840 flat angles C4'-P-C4' energy: -83.706 flat angles P-C4'-P energy: -34.360 tors. eta vs tors. theta energy: -49.767 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: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -738.410974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.410974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.410974 (E_RNA) where: Base-Base interactions energy: -458.548 where: short stacking energy: -219.668 Base-Backbone interact. energy: 0.725 local terms energy: -280.587227 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -72.185 flat angles C4'-P-C4' energy: -74.841 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -28.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1805.639845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.639845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.639845 (E_RNA) where: Base-Base interactions energy: -1278.198 where: short stacking energy: -512.817 Base-Backbone interact. energy: 1.188 local terms energy: -528.629586 where: bonds (distance) C4'-P energy: -97.197 bonds (distance) P-C4' energy: -89.207 flat angles C4'-P-C4' energy: -106.548 flat angles P-C4'-P energy: -81.088 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: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1710.757864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.757864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.757864 (E_RNA) where: Base-Base interactions energy: -1195.841 where: short stacking energy: -492.346 Base-Backbone interact. energy: -4.119 local terms energy: -510.797600 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -108.657 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -134.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1579.728319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.728319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.728319 (E_RNA) where: Base-Base interactions energy: -1114.212 where: short stacking energy: -469.935 Base-Backbone interact. energy: 1.378 local terms energy: -466.893619 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -84.607 flat angles C4'-P-C4' energy: -98.159 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -123.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1525.579286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.579286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.579286 (E_RNA) where: Base-Base interactions energy: -1079.467 where: short stacking energy: -444.451 Base-Backbone interact. energy: -1.861 local terms energy: -444.252024 where: bonds (distance) C4'-P energy: -78.051 bonds (distance) P-C4' energy: -93.561 flat angles C4'-P-C4' energy: -91.269 flat angles P-C4'-P energy: -71.228 tors. eta vs tors. theta energy: -110.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1458.428125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.428125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.428125 (E_RNA) where: Base-Base interactions energy: -1001.000 where: short stacking energy: -385.769 Base-Backbone interact. energy: -2.619 local terms energy: -454.809595 where: bonds (distance) C4'-P energy: -85.615 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -91.805 flat angles P-C4'-P energy: -78.306 tors. eta vs tors. theta energy: -108.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1329.057262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.057262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.057262 (E_RNA) where: Base-Base interactions energy: -899.368 where: short stacking energy: -375.408 Base-Backbone interact. energy: -2.128 local terms energy: -427.560514 where: bonds (distance) C4'-P energy: -80.008 bonds (distance) P-C4' energy: -90.769 flat angles C4'-P-C4' energy: -98.756 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -90.053 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: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1236.313481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.313481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.313481 (E_RNA) where: Base-Base interactions energy: -826.987 where: short stacking energy: -370.640 Base-Backbone interact. energy: -0.243 local terms energy: -409.083879 where: bonds (distance) C4'-P energy: -75.054 bonds (distance) P-C4' energy: -96.895 flat angles C4'-P-C4' energy: -79.665 flat angles P-C4'-P energy: -65.641 tors. eta vs tors. theta energy: -91.829 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: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1087.865766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.865766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.865766 (E_RNA) where: Base-Base interactions energy: -726.632 where: short stacking energy: -315.283 Base-Backbone interact. energy: -1.463 local terms energy: -359.770089 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -80.285 flat angles C4'-P-C4' energy: -85.244 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -74.986 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: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -901.848174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.848174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.848174 (E_RNA) where: Base-Base interactions energy: -540.997 where: short stacking energy: -231.057 Base-Backbone interact. energy: 3.740 local terms energy: -364.590699 where: bonds (distance) C4'-P energy: -88.760 bonds (distance) P-C4' energy: -93.395 flat angles C4'-P-C4' energy: -88.939 flat angles P-C4'-P energy: -54.498 tors. eta vs tors. theta energy: -38.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -743.260070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.260070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.260070 (E_RNA) where: Base-Base interactions energy: -477.429 where: short stacking energy: -202.693 Base-Backbone interact. energy: 2.535 local terms energy: -268.365753 where: bonds (distance) C4'-P energy: -58.155 bonds (distance) P-C4' energy: -78.739 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: -6.244 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: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1809.315669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.315669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.315669 (E_RNA) where: Base-Base interactions energy: -1265.066 where: short stacking energy: -527.938 Base-Backbone interact. energy: -0.525 local terms energy: -543.724165 where: bonds (distance) C4'-P energy: -98.449 bonds (distance) P-C4' energy: -108.694 flat angles C4'-P-C4' energy: -108.401 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -153.610 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: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1675.877422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.877422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.877422 (E_RNA) where: Base-Base interactions energy: -1193.794 where: short stacking energy: -499.996 Base-Backbone interact. energy: -1.857 local terms energy: -480.226626 where: bonds (distance) C4'-P energy: -89.573 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -68.869 tors. eta vs tors. theta energy: -133.857 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: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1592.088709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.088709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.088709 (E_RNA) where: Base-Base interactions energy: -1109.777 where: short stacking energy: -460.709 Base-Backbone interact. energy: -5.040 local terms energy: -477.272583 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -91.932 flat angles C4'-P-C4' energy: -97.637 flat angles P-C4'-P energy: -81.159 tors. eta vs tors. theta energy: -126.349 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: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1485.221047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.221047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.221047 (E_RNA) where: Base-Base interactions energy: -1057.956 where: short stacking energy: -410.557 Base-Backbone interact. energy: 0.544 local terms energy: -427.808465 where: bonds (distance) C4'-P energy: -70.899 bonds (distance) P-C4' energy: -91.431 flat angles C4'-P-C4' energy: -94.930 flat angles P-C4'-P energy: -66.015 tors. eta vs tors. theta energy: -104.533 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: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1484.261725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.261725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.261725 (E_RNA) where: Base-Base interactions energy: -1049.644 where: short stacking energy: -414.147 Base-Backbone interact. energy: 1.739 local terms energy: -436.356508 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -94.223 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: -114.172 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: 6, replica: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1340.991281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.991281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.991281 (E_RNA) where: Base-Base interactions energy: -911.636 where: short stacking energy: -399.885 Base-Backbone interact. energy: -1.929 local terms energy: -427.425970 where: bonds (distance) C4'-P energy: -70.571 bonds (distance) P-C4' energy: -102.578 flat angles C4'-P-C4' energy: -88.098 flat angles P-C4'-P energy: -54.335 tors. eta vs tors. theta energy: -111.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1216.864627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.864627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.864627 (E_RNA) where: Base-Base interactions energy: -835.113 where: short stacking energy: -377.215 Base-Backbone interact. energy: -2.116 local terms energy: -379.635451 where: bonds (distance) C4'-P energy: -77.090 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: -93.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1073.490555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.490555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.490555 (E_RNA) where: Base-Base interactions energy: -712.432 where: short stacking energy: -298.604 Base-Backbone interact. energy: 1.147 local terms energy: -362.204860 where: bonds (distance) C4'-P energy: -79.690 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -61.754 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: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -909.616027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.616027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.616027 (E_RNA) where: Base-Base interactions energy: -597.847 where: short stacking energy: -254.684 Base-Backbone interact. energy: -0.540 local terms energy: -311.229048 where: bonds (distance) C4'-P energy: -67.926 bonds (distance) P-C4' energy: -68.302 flat angles C4'-P-C4' energy: -81.353 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -49.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -772.301760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.301760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.301760 (E_RNA) where: Base-Base interactions energy: -475.003 where: short stacking energy: -227.784 Base-Backbone interact. energy: 5.047 local terms energy: -302.345633 where: bonds (distance) C4'-P energy: -80.410 bonds (distance) P-C4' energy: -85.594 flat angles C4'-P-C4' energy: -72.896 flat angles P-C4'-P energy: -33.520 tors. eta vs tors. theta energy: -29.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1801.266525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.266525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.266525 (E_RNA) where: Base-Base interactions energy: -1261.797 where: short stacking energy: -522.514 Base-Backbone interact. energy: -2.050 local terms energy: -537.418596 where: bonds (distance) C4'-P energy: -103.273 bonds (distance) P-C4' energy: -103.388 flat angles C4'-P-C4' energy: -103.052 flat angles P-C4'-P energy: -77.077 tors. eta vs tors. theta energy: -150.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1706.774982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.774982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.774982 (E_RNA) where: Base-Base interactions energy: -1203.700 where: short stacking energy: -507.523 Base-Backbone interact. energy: -4.996 local terms energy: -498.079082 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -89.265 flat angles C4'-P-C4' energy: -104.757 flat angles P-C4'-P energy: -66.660 tors. eta vs tors. theta energy: -142.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1620.634910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.634910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.634910 (E_RNA) where: Base-Base interactions energy: -1140.595 where: short stacking energy: -476.597 Base-Backbone interact. energy: 2.418 local terms energy: -482.457208 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -103.748 flat angles C4'-P-C4' energy: -100.089 flat angles P-C4'-P energy: -69.796 tors. eta vs tors. theta energy: -131.772 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: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1481.628646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.628646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.628646 (E_RNA) where: Base-Base interactions energy: -1068.517 where: short stacking energy: -441.901 Base-Backbone interact. energy: 0.892 local terms energy: -414.003886 where: bonds (distance) C4'-P energy: -82.192 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -91.698 flat angles P-C4'-P energy: -54.711 tors. eta vs tors. theta energy: -114.150 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: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1475.903537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.903537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.903537 (E_RNA) where: Base-Base interactions energy: -1012.767 where: short stacking energy: -425.846 Base-Backbone interact. energy: -4.469 local terms energy: -458.667613 where: bonds (distance) C4'-P energy: -83.276 bonds (distance) P-C4' energy: -87.318 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -70.888 tors. eta vs tors. theta energy: -110.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1354.698333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.698333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.698333 (E_RNA) where: Base-Base interactions energy: -921.752 where: short stacking energy: -399.148 Base-Backbone interact. energy: -1.161 local terms energy: -431.785559 where: bonds (distance) C4'-P energy: -92.832 bonds (distance) P-C4' energy: -89.423 flat angles C4'-P-C4' energy: -84.228 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -114.035 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: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1231.716070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.716070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.716070 (E_RNA) where: Base-Base interactions energy: -819.378 where: short stacking energy: -371.983 Base-Backbone interact. energy: -1.778 local terms energy: -410.560008 where: bonds (distance) C4'-P energy: -80.030 bonds (distance) P-C4' energy: -85.613 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -97.308 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: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1053.386788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.386788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.386788 (E_RNA) where: Base-Base interactions energy: -660.550 where: short stacking energy: -304.560 Base-Backbone interact. energy: -4.471 local terms energy: -388.366041 where: bonds (distance) C4'-P energy: -83.529 bonds (distance) P-C4' energy: -75.190 flat angles C4'-P-C4' energy: -94.488 flat angles P-C4'-P energy: -64.213 tors. eta vs tors. theta energy: -70.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -888.106387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.106387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.106387 (E_RNA) where: Base-Base interactions energy: -584.361 where: short stacking energy: -256.005 Base-Backbone interact. energy: 4.060 local terms energy: -307.805234 where: bonds (distance) C4'-P energy: -73.360 bonds (distance) P-C4' energy: -92.096 flat angles C4'-P-C4' energy: -69.929 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -34.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -753.553616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.553616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.553616 (E_RNA) where: Base-Base interactions energy: -426.918 where: short stacking energy: -194.735 Base-Backbone interact. energy: 0.068 local terms energy: -326.703749 where: bonds (distance) C4'-P energy: -85.834 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -78.823 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -25.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1801.182875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.182875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.182875 (E_RNA) where: Base-Base interactions energy: -1270.880 where: short stacking energy: -517.922 Base-Backbone interact. energy: -3.716 local terms energy: -526.587590 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -98.441 flat angles C4'-P-C4' energy: -115.088 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -146.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1724.099601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.099601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.099601 (E_RNA) where: Base-Base interactions energy: -1200.192 where: short stacking energy: -513.165 Base-Backbone interact. energy: -0.213 local terms energy: -523.694631 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -94.946 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -142.869 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: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1611.469152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.469152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.469152 (E_RNA) where: Base-Base interactions energy: -1135.845 where: short stacking energy: -459.342 Base-Backbone interact. energy: -2.782 local terms energy: -472.842744 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -104.242 flat angles C4'-P-C4' energy: -97.369 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: -117.458 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: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1491.724046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.724046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.724046 (E_RNA) where: Base-Base interactions energy: -1043.194 where: short stacking energy: -421.633 Base-Backbone interact. energy: -2.696 local terms energy: -445.834366 where: bonds (distance) C4'-P energy: -85.754 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -96.800 flat angles P-C4'-P energy: -58.334 tors. eta vs tors. theta energy: -112.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1450.389747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.389747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.389747 (E_RNA) where: Base-Base interactions energy: -988.680 where: short stacking energy: -421.828 Base-Backbone interact. energy: -0.075 local terms energy: -461.634769 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -89.790 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -55.057 tors. eta vs tors. theta energy: -116.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1336.818070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.818070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.818070 (E_RNA) where: Base-Base interactions energy: -915.497 where: short stacking energy: -394.092 Base-Backbone interact. energy: -1.908 local terms energy: -419.413042 where: bonds (distance) C4'-P energy: -79.546 bonds (distance) P-C4' energy: -80.895 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -103.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1295.637520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.637520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.637520 (E_RNA) where: Base-Base interactions energy: -869.363 where: short stacking energy: -388.083 Base-Backbone interact. energy: 1.163 local terms energy: -427.437316 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -85.691 flat angles C4'-P-C4' energy: -86.195 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -106.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1050.074668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.074668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.074668 (E_RNA) where: Base-Base interactions energy: -689.947 where: short stacking energy: -308.493 Base-Backbone interact. energy: -1.326 local terms energy: -358.802342 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -85.598 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -65.249 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: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -932.195838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.195838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.195838 (E_RNA) where: Base-Base interactions energy: -589.167 where: short stacking energy: -259.209 Base-Backbone interact. energy: 1.561 local terms energy: -344.590240 where: bonds (distance) C4'-P energy: -68.391 bonds (distance) P-C4' energy: -77.735 flat angles C4'-P-C4' energy: -80.376 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -51.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -738.252681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.252681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.252681 (E_RNA) where: Base-Base interactions energy: -455.516 where: short stacking energy: -232.701 Base-Backbone interact. energy: -1.682 local terms energy: -281.054901 where: bonds (distance) C4'-P energy: -65.718 bonds (distance) P-C4' energy: -85.810 flat angles C4'-P-C4' energy: -62.580 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -19.428 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: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1776.671709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.671709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.671709 (E_RNA) where: Base-Base interactions energy: -1258.231 where: short stacking energy: -513.236 Base-Backbone interact. energy: -2.680 local terms energy: -515.760913 where: bonds (distance) C4'-P energy: -94.922 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -101.939 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: -148.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1704.925025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.925025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.925025 (E_RNA) where: Base-Base interactions energy: -1217.379 where: short stacking energy: -502.686 Base-Backbone interact. energy: -0.743 local terms energy: -486.803152 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -96.175 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -64.032 tors. eta vs tors. theta energy: -135.950 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: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1596.112243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.112243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.112243 (E_RNA) where: Base-Base interactions energy: -1129.994 where: short stacking energy: -488.081 Base-Backbone interact. energy: 2.029 local terms energy: -468.146827 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -88.012 flat angles C4'-P-C4' energy: -101.616 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -130.046 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: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1489.421476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.421476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.421476 (E_RNA) where: Base-Base interactions energy: -1028.123 where: short stacking energy: -424.122 Base-Backbone interact. energy: -1.511 local terms energy: -459.787606 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -90.761 flat angles C4'-P-C4' energy: -103.242 flat angles P-C4'-P energy: -67.041 tors. eta vs tors. theta energy: -111.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1429.034745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.034745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.034745 (E_RNA) where: Base-Base interactions energy: -1008.301 where: short stacking energy: -409.781 Base-Backbone interact. energy: 1.639 local terms energy: -422.372800 where: bonds (distance) C4'-P energy: -83.025 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -88.582 flat angles P-C4'-P energy: -61.320 tors. eta vs tors. theta energy: -102.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1303.783229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.783229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.783229 (E_RNA) where: Base-Base interactions energy: -861.267 where: short stacking energy: -381.508 Base-Backbone interact. energy: 1.608 local terms energy: -444.124736 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -99.961 flat angles P-C4'-P energy: -65.279 tors. eta vs tors. theta energy: -95.298 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: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1246.346057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.346057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.346057 (E_RNA) where: Base-Base interactions energy: -865.421 where: short stacking energy: -385.732 Base-Backbone interact. energy: 2.143 local terms energy: -383.068502 where: bonds (distance) C4'-P energy: -72.266 bonds (distance) P-C4' energy: -78.768 flat angles C4'-P-C4' energy: -82.701 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -92.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1027.645040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.645040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.645040 (E_RNA) where: Base-Base interactions energy: -657.398 where: short stacking energy: -305.424 Base-Backbone interact. energy: 1.395 local terms energy: -371.642234 where: bonds (distance) C4'-P energy: -71.897 bonds (distance) P-C4' energy: -86.600 flat angles C4'-P-C4' energy: -86.676 flat angles P-C4'-P energy: -52.800 tors. eta vs tors. theta energy: -73.669 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: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -931.181981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.181981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.181981 (E_RNA) where: Base-Base interactions energy: -598.953 where: short stacking energy: -267.728 Base-Backbone interact. energy: -2.020 local terms energy: -330.208827 where: bonds (distance) C4'-P energy: -72.819 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -75.917 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -45.902 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: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -724.890918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.890918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.890918 (E_RNA) where: Base-Base interactions energy: -432.319 where: short stacking energy: -221.670 Base-Backbone interact. energy: 0.097 local terms energy: -292.669206 where: bonds (distance) C4'-P energy: -75.816 bonds (distance) P-C4' energy: -77.252 flat angles C4'-P-C4' energy: -62.032 flat angles P-C4'-P energy: -57.578 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1785.678628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.678628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.678628 (E_RNA) where: Base-Base interactions energy: -1248.878 where: short stacking energy: -523.755 Base-Backbone interact. energy: -1.079 local terms energy: -535.721511 where: bonds (distance) C4'-P energy: -95.283 bonds (distance) P-C4' energy: -98.940 flat angles C4'-P-C4' energy: -111.474 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -148.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1711.626790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.626790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.626790 (E_RNA) where: Base-Base interactions energy: -1206.962 where: short stacking energy: -509.194 Base-Backbone interact. energy: -3.009 local terms energy: -501.655581 where: bonds (distance) C4'-P energy: -99.759 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -102.462 flat angles P-C4'-P energy: -64.193 tors. eta vs tors. theta energy: -145.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1588.550831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.550831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.550831 (E_RNA) where: Base-Base interactions energy: -1102.232 where: short stacking energy: -479.904 Base-Backbone interact. energy: -0.546 local terms energy: -485.772859 where: bonds (distance) C4'-P energy: -97.890 bonds (distance) P-C4' energy: -93.948 flat angles C4'-P-C4' energy: -96.779 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -128.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1483.356721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.356721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.356721 (E_RNA) where: Base-Base interactions energy: -1044.217 where: short stacking energy: -428.627 Base-Backbone interact. energy: 0.035 local terms energy: -439.174915 where: bonds (distance) C4'-P energy: -96.080 bonds (distance) P-C4' energy: -97.661 flat angles C4'-P-C4' energy: -88.347 flat angles P-C4'-P energy: -58.861 tors. eta vs tors. theta energy: -98.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1428.342746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.342746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.342746 (E_RNA) where: Base-Base interactions energy: -1025.778 where: short stacking energy: -409.799 Base-Backbone interact. energy: -1.023 local terms energy: -401.541804 where: bonds (distance) C4'-P energy: -82.548 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -95.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1330.091004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.091004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.091004 (E_RNA) where: Base-Base interactions energy: -912.467 where: short stacking energy: -400.460 Base-Backbone interact. energy: 2.890 local terms energy: -420.513670 where: bonds (distance) C4'-P energy: -71.992 bonds (distance) P-C4' energy: -76.723 flat angles C4'-P-C4' energy: -95.528 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -110.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1269.070781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.070781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.070781 (E_RNA) where: Base-Base interactions energy: -888.181 where: short stacking energy: -369.814 Base-Backbone interact. energy: 0.809 local terms energy: -381.698813 where: bonds (distance) C4'-P energy: -69.207 bonds (distance) P-C4' energy: -81.513 flat angles C4'-P-C4' energy: -88.644 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -94.749 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: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1002.063930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.063930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.063930 (E_RNA) where: Base-Base interactions energy: -631.060 where: short stacking energy: -275.307 Base-Backbone interact. energy: 0.188 local terms energy: -371.192080 where: bonds (distance) C4'-P energy: -78.206 bonds (distance) P-C4' energy: -88.137 flat angles C4'-P-C4' energy: -80.390 flat angles P-C4'-P energy: -64.995 tors. eta vs tors. theta energy: -59.464 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: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1004.966690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.966690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.966690 (E_RNA) where: Base-Base interactions energy: -652.831 where: short stacking energy: -283.865 Base-Backbone interact. energy: -2.773 local terms energy: -349.362720 where: bonds (distance) C4'-P energy: -79.255 bonds (distance) P-C4' energy: -65.300 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: -80.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -684.574859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.574859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.574859 (E_RNA) where: Base-Base interactions energy: -406.348 where: short stacking energy: -211.778 Base-Backbone interact. energy: -2.446 local terms energy: -275.780921 where: bonds (distance) C4'-P energy: -60.299 bonds (distance) P-C4' energy: -62.853 flat angles C4'-P-C4' energy: -72.592 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -43.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1786.924191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.924191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.924191 (E_RNA) where: Base-Base interactions energy: -1267.948 where: short stacking energy: -523.239 Base-Backbone interact. energy: 3.465 local terms energy: -522.440950 where: bonds (distance) C4'-P energy: -93.481 bonds (distance) P-C4' energy: -96.219 flat angles C4'-P-C4' energy: -107.008 flat angles P-C4'-P energy: -72.126 tors. eta vs tors. theta energy: -153.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1746.009321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.009321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.009321 (E_RNA) where: Base-Base interactions energy: -1219.760 where: short stacking energy: -510.184 Base-Backbone interact. energy: -4.840 local terms energy: -521.409290 where: bonds (distance) C4'-P energy: -107.917 bonds (distance) P-C4' energy: -85.190 flat angles C4'-P-C4' energy: -110.036 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -144.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1594.413584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.413584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.413584 (E_RNA) where: Base-Base interactions energy: -1122.353 where: short stacking energy: -459.613 Base-Backbone interact. energy: -2.311 local terms energy: -469.749934 where: bonds (distance) C4'-P energy: -90.008 bonds (distance) P-C4' energy: -88.243 flat angles C4'-P-C4' energy: -104.630 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -121.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1499.191773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.191773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.191773 (E_RNA) where: Base-Base interactions energy: -1069.140 where: short stacking energy: -423.733 Base-Backbone interact. energy: -1.879 local terms energy: -428.173536 where: bonds (distance) C4'-P energy: -86.884 bonds (distance) P-C4' energy: -90.188 flat angles C4'-P-C4' energy: -96.666 flat angles P-C4'-P energy: -60.723 tors. eta vs tors. theta energy: -93.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1468.221566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.221566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.221566 (E_RNA) where: Base-Base interactions energy: -1003.097 where: short stacking energy: -403.876 Base-Backbone interact. energy: -4.353 local terms energy: -460.772111 where: bonds (distance) C4'-P energy: -98.070 bonds (distance) P-C4' energy: -91.466 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -106.154 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: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1313.829283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.829283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.829283 (E_RNA) where: Base-Base interactions energy: -895.605 where: short stacking energy: -403.384 Base-Backbone interact. energy: -2.968 local terms energy: -415.256204 where: bonds (distance) C4'-P energy: -85.538 bonds (distance) P-C4' energy: -84.847 flat angles C4'-P-C4' energy: -85.813 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -95.132 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: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1265.016688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.016688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.016688 (E_RNA) where: Base-Base interactions energy: -848.327 where: short stacking energy: -374.318 Base-Backbone interact. energy: 0.553 local terms energy: -417.243189 where: bonds (distance) C4'-P energy: -73.849 bonds (distance) P-C4' energy: -88.052 flat angles C4'-P-C4' energy: -97.891 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: -98.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1005.241716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.241716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.241716 (E_RNA) where: Base-Base interactions energy: -668.046 where: short stacking energy: -322.130 Base-Backbone interact. energy: -2.376 local terms energy: -334.819166 where: bonds (distance) C4'-P energy: -76.822 bonds (distance) P-C4' energy: -56.971 flat angles C4'-P-C4' energy: -81.045 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: -80.238 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: 378 Temperature: 1.300000 Total energy: -981.058657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.058657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.058657 (E_RNA) where: Base-Base interactions energy: -653.366 where: short stacking energy: -292.948 Base-Backbone interact. energy: -3.837 local terms energy: -323.855509 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -74.053 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: -45.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -714.476674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.476674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.476674 (E_RNA) where: Base-Base interactions energy: -408.190 where: short stacking energy: -204.943 Base-Backbone interact. energy: 0.631 local terms energy: -306.917668 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -92.319 flat angles C4'-P-C4' energy: -88.515 flat angles P-C4'-P energy: -45.327 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1786.756538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.756538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.756538 (E_RNA) where: Base-Base interactions energy: -1256.286 where: short stacking energy: -517.732 Base-Backbone interact. energy: -2.117 local terms energy: -528.353551 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -94.428 flat angles C4'-P-C4' energy: -107.421 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -146.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1701.950672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.950672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.950672 (E_RNA) where: Base-Base interactions energy: -1212.683 where: short stacking energy: -510.554 Base-Backbone interact. energy: -4.559 local terms energy: -484.708262 where: bonds (distance) C4'-P energy: -72.614 bonds (distance) P-C4' energy: -98.311 flat angles C4'-P-C4' energy: -101.133 flat angles P-C4'-P energy: -73.611 tors. eta vs tors. theta energy: -139.039 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: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1581.119453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.119453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.119453 (E_RNA) where: Base-Base interactions energy: -1113.355 where: short stacking energy: -451.402 Base-Backbone interact. energy: 1.604 local terms energy: -469.368747 where: bonds (distance) C4'-P energy: -89.217 bonds (distance) P-C4' energy: -95.748 flat angles C4'-P-C4' energy: -105.976 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -112.771 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: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1530.683050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.683050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.683050 (E_RNA) where: Base-Base interactions energy: -1090.417 where: short stacking energy: -429.120 Base-Backbone interact. energy: -4.989 local terms energy: -435.277825 where: bonds (distance) C4'-P energy: -83.339 bonds (distance) P-C4' energy: -77.241 flat angles C4'-P-C4' energy: -96.143 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -109.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1471.352136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.352136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.352136 (E_RNA) where: Base-Base interactions energy: -1050.206 where: short stacking energy: -404.183 Base-Backbone interact. energy: -0.952 local terms energy: -420.194831 where: bonds (distance) C4'-P energy: -89.013 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -88.368 flat angles P-C4'-P energy: -63.602 tors. eta vs tors. theta energy: -101.378 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: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1279.159869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.159869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.159869 (E_RNA) where: Base-Base interactions energy: -843.008 where: short stacking energy: -373.516 Base-Backbone interact. energy: -1.432 local terms energy: -434.720823 where: bonds (distance) C4'-P energy: -78.706 bonds (distance) P-C4' energy: -93.401 flat angles C4'-P-C4' energy: -89.742 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -108.961 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: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1258.539500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.539500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.539500 (E_RNA) where: Base-Base interactions energy: -862.652 where: short stacking energy: -360.625 Base-Backbone interact. energy: -1.915 local terms energy: -393.973038 where: bonds (distance) C4'-P energy: -84.973 bonds (distance) P-C4' energy: -101.999 flat angles C4'-P-C4' energy: -66.639 flat angles P-C4'-P energy: -49.702 tors. eta vs tors. theta energy: -90.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1024.160095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.160095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.160095 (E_RNA) where: Base-Base interactions energy: -661.992 where: short stacking energy: -296.692 Base-Backbone interact. energy: -1.866 local terms energy: -360.301541 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: -67.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -990.648309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.648309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.648309 (E_RNA) where: Base-Base interactions energy: -654.408 where: short stacking energy: -294.140 Base-Backbone interact. energy: -4.041 local terms energy: -332.199356 where: bonds (distance) C4'-P energy: -76.525 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -74.628 flat angles P-C4'-P energy: -54.776 tors. eta vs tors. theta energy: -43.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -716.718741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.718741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.718741 (E_RNA) where: Base-Base interactions energy: -419.346 where: short stacking energy: -203.926 Base-Backbone interact. energy: -2.618 local terms energy: -294.754751 where: bonds (distance) C4'-P energy: -69.922 bonds (distance) P-C4' energy: -87.810 flat angles C4'-P-C4' energy: -77.248 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: -18.715 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: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1775.288381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.288381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.288381 (E_RNA) where: Base-Base interactions energy: -1250.706 where: short stacking energy: -525.273 Base-Backbone interact. energy: 2.067 local terms energy: -526.648755 where: bonds (distance) C4'-P energy: -90.938 bonds (distance) P-C4' energy: -96.047 flat angles C4'-P-C4' energy: -110.730 flat angles P-C4'-P energy: -75.100 tors. eta vs tors. theta energy: -153.834 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: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1717.311444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.311444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.311444 (E_RNA) where: Base-Base interactions energy: -1221.873 where: short stacking energy: -507.746 Base-Backbone interact. energy: -3.457 local terms energy: -491.980892 where: bonds (distance) C4'-P energy: -88.469 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -99.350 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -136.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1613.468300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.468300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.468300 (E_RNA) where: Base-Base interactions energy: -1137.859 where: short stacking energy: -498.415 Base-Backbone interact. energy: -1.326 local terms energy: -474.283062 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -90.294 flat angles C4'-P-C4' energy: -103.276 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -133.743 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: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1482.181620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.181620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.181620 (E_RNA) where: Base-Base interactions energy: -1054.107 where: short stacking energy: -430.616 Base-Backbone interact. energy: -0.554 local terms energy: -427.520694 where: bonds (distance) C4'-P energy: -71.573 bonds (distance) P-C4' energy: -85.611 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -111.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1463.146011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.146011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.146011 (E_RNA) where: Base-Base interactions energy: -1027.341 where: short stacking energy: -434.146 Base-Backbone interact. energy: -1.211 local terms energy: -434.594263 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -85.064 flat angles C4'-P-C4' energy: -93.431 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -114.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1305.329498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.329498 (E_RNA) where: Base-Base interactions energy: -888.805 where: short stacking energy: -391.934 Base-Backbone interact. energy: -0.548 local terms energy: -415.976238 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -86.174 flat angles C4'-P-C4' energy: -90.000 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -96.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1243.183519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.183519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.183519 (E_RNA) where: Base-Base interactions energy: -824.653 where: short stacking energy: -348.279 Base-Backbone interact. energy: -1.707 local terms energy: -416.823509 where: bonds (distance) C4'-P energy: -75.899 bonds (distance) P-C4' energy: -96.280 flat angles C4'-P-C4' energy: -87.011 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -93.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1102.310672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.310672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.310672 (E_RNA) where: Base-Base interactions energy: -749.508 where: short stacking energy: -321.828 Base-Backbone interact. energy: 1.339 local terms energy: -354.141907 where: bonds (distance) C4'-P energy: -58.868 bonds (distance) P-C4' energy: -77.349 flat angles C4'-P-C4' energy: -86.685 flat angles P-C4'-P energy: -62.801 tors. eta vs tors. theta energy: -68.439 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: 380 Temperature: 1.300000 Total energy: -929.315341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.315341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.315341 (E_RNA) where: Base-Base interactions energy: -623.551 where: short stacking energy: -281.968 Base-Backbone interact. energy: -2.667 local terms energy: -303.096993 where: bonds (distance) C4'-P energy: -68.988 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -66.490 flat angles P-C4'-P energy: -42.783 tors. eta vs tors. theta energy: -47.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -613.100267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.100267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.100267 (E_RNA) where: Base-Base interactions energy: -360.394 where: short stacking energy: -192.532 Base-Backbone interact. energy: 1.331 local terms energy: -254.037841 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -80.440 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -20.530 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1767.542141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.542141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.542141 (E_RNA) where: Base-Base interactions energy: -1241.160 where: short stacking energy: -500.496 Base-Backbone interact. energy: -0.192 local terms energy: -526.190165 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -115.018 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -151.616 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: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1700.757221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.757221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.757221 (E_RNA) where: Base-Base interactions energy: -1182.228 where: short stacking energy: -496.623 Base-Backbone interact. energy: -4.421 local terms energy: -514.108562 where: bonds (distance) C4'-P energy: -102.425 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -74.860 tors. eta vs tors. theta energy: -135.528 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: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1583.016097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.016097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.016097 (E_RNA) where: Base-Base interactions energy: -1112.431 where: short stacking energy: -476.974 Base-Backbone interact. energy: 6.302 local terms energy: -476.887205 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -94.768 flat angles C4'-P-C4' energy: -105.712 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -125.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1488.706439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.706439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.706439 (E_RNA) where: Base-Base interactions energy: -1055.680 where: short stacking energy: -420.468 Base-Backbone interact. energy: -3.273 local terms energy: -429.753671 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -97.513 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -62.644 tors. eta vs tors. theta energy: -105.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1469.955517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.955517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.955517 (E_RNA) where: Base-Base interactions energy: -1005.340 where: short stacking energy: -401.583 Base-Backbone interact. energy: -2.405 local terms energy: -462.210015 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -105.656 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: -103.461 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: 6, replica: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1322.645262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.645262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.645262 (E_RNA) where: Base-Base interactions energy: -886.900 where: short stacking energy: -395.674 Base-Backbone interact. energy: -0.755 local terms energy: -434.989600 where: bonds (distance) C4'-P energy: -90.876 bonds (distance) P-C4' energy: -68.605 flat angles C4'-P-C4' energy: -96.899 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -116.605 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: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1183.077592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.077592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.077592 (E_RNA) where: Base-Base interactions energy: -787.567 where: short stacking energy: -327.480 Base-Backbone interact. energy: -2.885 local terms energy: -392.626137 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -86.521 flat angles C4'-P-C4' energy: -97.352 flat angles P-C4'-P energy: -53.916 tors. eta vs tors. theta energy: -75.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1020.055913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.055913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.055913 (E_RNA) where: Base-Base interactions energy: -669.344 where: short stacking energy: -294.772 Base-Backbone interact. energy: 2.612 local terms energy: -353.323950 where: bonds (distance) C4'-P energy: -84.090 bonds (distance) P-C4' energy: -77.015 flat angles C4'-P-C4' energy: -88.415 flat angles P-C4'-P energy: -44.144 tors. eta vs tors. theta energy: -59.659 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: 381 Temperature: 1.300000 Total energy: -954.632623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.632623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.632623 (E_RNA) where: Base-Base interactions energy: -631.353 where: short stacking energy: -259.242 Base-Backbone interact. energy: -0.052 local terms energy: -323.227471 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -76.064 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -42.034 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: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -578.746035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.746035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.746035 (E_RNA) where: Base-Base interactions energy: -298.301 where: short stacking energy: -159.091 Base-Backbone interact. energy: -1.827 local terms energy: -278.617520 where: bonds (distance) C4'-P energy: -78.324 bonds (distance) P-C4' energy: -88.294 flat angles C4'-P-C4' energy: -77.301 flat angles P-C4'-P energy: -34.167 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1769.747356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.747356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.747356 (E_RNA) where: Base-Base interactions energy: -1249.333 where: short stacking energy: -536.335 Base-Backbone interact. energy: -3.393 local terms energy: -517.021080 where: bonds (distance) C4'-P energy: -88.748 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -101.912 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -159.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1671.015514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.015514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.015514 (E_RNA) where: Base-Base interactions energy: -1182.045 where: short stacking energy: -489.099 Base-Backbone interact. energy: -5.149 local terms energy: -483.821237 where: bonds (distance) C4'-P energy: -90.869 bonds (distance) P-C4' energy: -91.850 flat angles C4'-P-C4' energy: -89.570 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: -141.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1617.494727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.494727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.494727 (E_RNA) where: Base-Base interactions energy: -1144.735 where: short stacking energy: -476.521 Base-Backbone interact. energy: -1.003 local terms energy: -471.756978 where: bonds (distance) C4'-P energy: -81.563 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -103.281 flat angles P-C4'-P energy: -69.258 tors. eta vs tors. theta energy: -129.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1506.680696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.680696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.680696 (E_RNA) where: Base-Base interactions energy: -1058.867 where: short stacking energy: -418.686 Base-Backbone interact. energy: -2.662 local terms energy: -445.151269 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -75.396 flat angles C4'-P-C4' energy: -99.309 flat angles P-C4'-P energy: -65.713 tors. eta vs tors. theta energy: -114.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1441.866716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.866716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.866716 (E_RNA) where: Base-Base interactions energy: -1017.250 where: short stacking energy: -424.156 Base-Backbone interact. energy: -4.169 local terms energy: -420.447492 where: bonds (distance) C4'-P energy: -76.343 bonds (distance) P-C4' energy: -76.293 flat angles C4'-P-C4' energy: -98.860 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: -100.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1325.461090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.461090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.461090 (E_RNA) where: Base-Base interactions energy: -890.191 where: short stacking energy: -388.805 Base-Backbone interact. energy: -2.671 local terms energy: -432.599430 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -90.958 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -54.535 tors. eta vs tors. theta energy: -110.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1203.646202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.646202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.646202 (E_RNA) where: Base-Base interactions energy: -797.503 where: short stacking energy: -338.840 Base-Backbone interact. energy: -2.046 local terms energy: -404.097572 where: bonds (distance) C4'-P energy: -87.026 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -89.772 flat angles P-C4'-P energy: -69.298 tors. eta vs tors. theta energy: -78.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1007.689717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.689717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.689717 (E_RNA) where: Base-Base interactions energy: -642.966 where: short stacking energy: -282.992 Base-Backbone interact. energy: 0.140 local terms energy: -364.863270 where: bonds (distance) C4'-P energy: -71.446 bonds (distance) P-C4' energy: -82.166 flat angles C4'-P-C4' energy: -96.549 flat angles P-C4'-P energy: -52.395 tors. eta vs tors. theta energy: -62.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -950.154087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.154087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.154087 (E_RNA) where: Base-Base interactions energy: -624.686 where: short stacking energy: -261.938 Base-Backbone interact. energy: -1.914 local terms energy: -323.553801 where: bonds (distance) C4'-P energy: -71.193 bonds (distance) P-C4' energy: -73.708 flat angles C4'-P-C4' energy: -81.263 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -58.074 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: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -545.906344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.906344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.906344 (E_RNA) where: Base-Base interactions energy: -302.785 where: short stacking energy: -158.846 Base-Backbone interact. energy: -2.841 local terms energy: -240.280426 where: bonds (distance) C4'-P energy: -59.669 bonds (distance) P-C4' energy: -79.151 flat angles C4'-P-C4' energy: -72.848 flat angles P-C4'-P energy: -27.087 tors. eta vs tors. theta energy: -1.526 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: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1770.887039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.887039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.887039 (E_RNA) where: Base-Base interactions energy: -1224.699 where: short stacking energy: -532.240 Base-Backbone interact. energy: -3.362 local terms energy: -542.825871 where: bonds (distance) C4'-P energy: -105.453 bonds (distance) P-C4' energy: -99.541 flat angles C4'-P-C4' energy: -107.062 flat angles P-C4'-P energy: -79.334 tors. eta vs tors. theta energy: -151.435 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: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1678.500893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.500893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.500893 (E_RNA) where: Base-Base interactions energy: -1185.809 where: short stacking energy: -488.878 Base-Backbone interact. energy: -5.699 local terms energy: -486.993227 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -151.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1602.156097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.156097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.156097 (E_RNA) where: Base-Base interactions energy: -1117.735 where: short stacking energy: -463.822 Base-Backbone interact. energy: 0.207 local terms energy: -484.628445 where: bonds (distance) C4'-P energy: -102.460 bonds (distance) P-C4' energy: -90.646 flat angles C4'-P-C4' energy: -94.285 flat angles P-C4'-P energy: -78.633 tors. eta vs tors. theta energy: -118.605 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: 383 Temperature: 1.050000 Total energy: -1482.398604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.398604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.398604 (E_RNA) where: Base-Base interactions energy: -1039.933 where: short stacking energy: -406.117 Base-Backbone interact. energy: -1.565 local terms energy: -440.900863 where: bonds (distance) C4'-P energy: -91.475 bonds (distance) P-C4' energy: -99.835 flat angles C4'-P-C4' energy: -83.208 flat angles P-C4'-P energy: -61.851 tors. eta vs tors. theta energy: -104.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1485.317464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.317464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.317464 (E_RNA) where: Base-Base interactions energy: -1030.585 where: short stacking energy: -424.791 Base-Backbone interact. energy: -3.103 local terms energy: -451.629214 where: bonds (distance) C4'-P energy: -90.736 bonds (distance) P-C4' energy: -83.063 flat angles C4'-P-C4' energy: -103.805 flat angles P-C4'-P energy: -62.468 tors. eta vs tors. theta energy: -111.556 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: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1262.722195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.722195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.722195 (E_RNA) where: Base-Base interactions energy: -853.419 where: short stacking energy: -399.947 Base-Backbone interact. energy: 0.110 local terms energy: -409.413529 where: bonds (distance) C4'-P energy: -73.110 bonds (distance) P-C4' energy: -84.601 flat angles C4'-P-C4' energy: -91.634 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -94.036 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: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1220.302384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.302384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.302384 (E_RNA) where: Base-Base interactions energy: -810.474 where: short stacking energy: -346.382 Base-Backbone interact. energy: -2.144 local terms energy: -407.684663 where: bonds (distance) C4'-P energy: -83.922 bonds (distance) P-C4' energy: -77.701 flat angles C4'-P-C4' energy: -90.343 flat angles P-C4'-P energy: -66.758 tors. eta vs tors. theta energy: -88.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1060.492625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.492625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.492625 (E_RNA) where: Base-Base interactions energy: -701.193 where: short stacking energy: -292.183 Base-Backbone interact. energy: -3.245 local terms energy: -356.054087 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -65.932 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: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -955.379239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.379239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.379239 (E_RNA) where: Base-Base interactions energy: -623.225 where: short stacking energy: -263.792 Base-Backbone interact. energy: -2.982 local terms energy: -329.172330 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -71.261 flat angles C4'-P-C4' energy: -85.580 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -47.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -536.859498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.859498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.859498 (E_RNA) where: Base-Base interactions energy: -268.356 where: short stacking energy: -164.988 Base-Backbone interact. energy: -2.017 local terms energy: -266.487409 where: bonds (distance) C4'-P energy: -83.768 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -67.507 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -9.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1797.043545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.043545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.043545 (E_RNA) where: Base-Base interactions energy: -1265.901 where: short stacking energy: -531.574 Base-Backbone interact. energy: -2.368 local terms energy: -528.774078 where: bonds (distance) C4'-P energy: -91.854 bonds (distance) P-C4' energy: -93.638 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -158.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1689.479843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.479843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.479843 (E_RNA) where: Base-Base interactions energy: -1167.880 where: short stacking energy: -498.440 Base-Backbone interact. energy: -1.376 local terms energy: -520.223059 where: bonds (distance) C4'-P energy: -86.684 bonds (distance) P-C4' energy: -92.807 flat angles C4'-P-C4' energy: -110.938 flat angles P-C4'-P energy: -79.978 tors. eta vs tors. theta energy: -149.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1648.646502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.646502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.646502 (E_RNA) where: Base-Base interactions energy: -1152.112 where: short stacking energy: -460.393 Base-Backbone interact. energy: -0.167 local terms energy: -496.367666 where: bonds (distance) C4'-P energy: -88.053 bonds (distance) P-C4' energy: -97.674 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -82.041 tors. eta vs tors. theta energy: -120.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1516.469038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.469038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.469038 (E_RNA) where: Base-Base interactions energy: -1075.174 where: short stacking energy: -434.345 Base-Backbone interact. energy: 0.759 local terms energy: -442.053618 where: bonds (distance) C4'-P energy: -77.220 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -94.968 flat angles P-C4'-P energy: -67.749 tors. eta vs tors. theta energy: -113.522 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1464.869670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.869670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.869670 (E_RNA) where: Base-Base interactions energy: -1038.901 where: short stacking energy: -428.950 Base-Backbone interact. energy: -3.013 local terms energy: -422.954775 where: bonds (distance) C4'-P energy: -88.610 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -99.089 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -110.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1292.629919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.629919 (E_RNA) where: Base-Base interactions energy: -872.356 where: short stacking energy: -393.803 Base-Backbone interact. energy: -2.808 local terms energy: -417.465936 where: bonds (distance) C4'-P energy: -84.530 bonds (distance) P-C4' energy: -88.461 flat angles C4'-P-C4' energy: -90.447 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -103.704 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: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1261.861929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.861929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.861929 (E_RNA) where: Base-Base interactions energy: -857.406 where: short stacking energy: -380.653 Base-Backbone interact. energy: -2.534 local terms energy: -401.921543 where: bonds (distance) C4'-P energy: -76.394 bonds (distance) P-C4' energy: -76.352 flat angles C4'-P-C4' energy: -87.972 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -108.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1012.796911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.796911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.796911 (E_RNA) where: Base-Base interactions energy: -651.051 where: short stacking energy: -294.392 Base-Backbone interact. energy: -3.073 local terms energy: -358.673522 where: bonds (distance) C4'-P energy: -83.474 bonds (distance) P-C4' energy: -85.215 flat angles C4'-P-C4' energy: -81.954 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -61.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -945.034079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.034079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.034079 (E_RNA) where: Base-Base interactions energy: -606.916 where: short stacking energy: -271.645 Base-Backbone interact. energy: -0.871 local terms energy: -337.247197 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -81.528 flat angles C4'-P-C4' energy: -81.733 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: -55.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -506.845134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.845134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.845134 (E_RNA) where: Base-Base interactions energy: -240.862 where: short stacking energy: -134.229 Base-Backbone interact. energy: 2.320 local terms energy: -268.303182 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -89.983 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1788.598542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.598542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.598542 (E_RNA) where: Base-Base interactions energy: -1262.817 where: short stacking energy: -524.982 Base-Backbone interact. energy: -2.935 local terms energy: -522.846848 where: bonds (distance) C4'-P energy: -95.533 bonds (distance) P-C4' energy: -104.822 flat angles C4'-P-C4' energy: -108.848 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -146.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1690.854113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.854113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.854113 (E_RNA) where: Base-Base interactions energy: -1187.001 where: short stacking energy: -496.774 Base-Backbone interact. energy: -4.540 local terms energy: -499.312844 where: bonds (distance) C4'-P energy: -92.855 bonds (distance) P-C4' energy: -85.611 flat angles C4'-P-C4' energy: -102.069 flat angles P-C4'-P energy: -75.018 tors. eta vs tors. theta energy: -143.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1620.378326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.378326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.378326 (E_RNA) where: Base-Base interactions energy: -1148.145 where: short stacking energy: -485.380 Base-Backbone interact. energy: 0.409 local terms energy: -472.641698 where: bonds (distance) C4'-P energy: -88.430 bonds (distance) P-C4' energy: -96.761 flat angles C4'-P-C4' energy: -93.297 flat angles P-C4'-P energy: -66.323 tors. eta vs tors. theta energy: -127.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1545.184348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.184348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.184348 (E_RNA) where: Base-Base interactions energy: -1078.999 where: short stacking energy: -447.940 Base-Backbone interact. energy: 2.776 local terms energy: -468.961366 where: bonds (distance) C4'-P energy: -90.454 bonds (distance) P-C4' energy: -85.662 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -116.591 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: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1461.579339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.579339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.579339 (E_RNA) where: Base-Base interactions energy: -1019.543 where: short stacking energy: -397.482 Base-Backbone interact. energy: 0.879 local terms energy: -442.915766 where: bonds (distance) C4'-P energy: -84.483 bonds (distance) P-C4' energy: -89.898 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -58.901 tors. eta vs tors. theta energy: -113.183 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1319.761884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.761884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.761884 (E_RNA) where: Base-Base interactions energy: -905.130 where: short stacking energy: -370.751 Base-Backbone interact. energy: -1.601 local terms energy: -413.030753 where: bonds (distance) C4'-P energy: -81.877 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -92.245 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -96.817 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: 385 Temperature: 1.200000 Total energy: -1237.857507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.857507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.857507 (E_RNA) where: Base-Base interactions energy: -849.150 where: short stacking energy: -384.234 Base-Backbone interact. energy: 4.931 local terms energy: -393.638061 where: bonds (distance) C4'-P energy: -76.228 bonds (distance) P-C4' energy: -86.356 flat angles C4'-P-C4' energy: -82.440 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -99.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1039.966216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.966216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.966216 (E_RNA) where: Base-Base interactions energy: -667.649 where: short stacking energy: -311.424 Base-Backbone interact. energy: -2.027 local terms energy: -370.291096 where: bonds (distance) C4'-P energy: -76.382 bonds (distance) P-C4' energy: -88.780 flat angles C4'-P-C4' energy: -92.302 flat angles P-C4'-P energy: -47.202 tors. eta vs tors. theta energy: -65.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -947.721687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.721687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.721687 (E_RNA) where: Base-Base interactions energy: -637.340 where: short stacking energy: -271.626 Base-Backbone interact. energy: -4.179 local terms energy: -306.202848 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -69.378 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -54.143 tors. eta vs tors. theta energy: -43.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -491.567904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.567904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.567904 (E_RNA) where: Base-Base interactions energy: -261.947 where: short stacking energy: -169.766 Base-Backbone interact. energy: 2.560 local terms energy: -232.180970 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -80.121 flat angles C4'-P-C4' energy: -69.248 flat angles P-C4'-P energy: -23.965 tors. eta vs tors. theta energy: 3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1781.772821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.772821 (E_RNA) where: Base-Base interactions energy: -1245.683 where: short stacking energy: -514.173 Base-Backbone interact. energy: -0.046 local terms energy: -536.043956 where: bonds (distance) C4'-P energy: -89.135 bonds (distance) P-C4' energy: -97.674 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: -149.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1700.728694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.728694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.728694 (E_RNA) where: Base-Base interactions energy: -1205.198 where: short stacking energy: -501.302 Base-Backbone interact. energy: -1.911 local terms energy: -493.620064 where: bonds (distance) C4'-P energy: -99.981 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -89.873 flat angles P-C4'-P energy: -74.193 tors. eta vs tors. theta energy: -142.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1633.222615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.222615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.222615 (E_RNA) where: Base-Base interactions energy: -1150.463 where: short stacking energy: -466.878 Base-Backbone interact. energy: -1.935 local terms energy: -480.824649 where: bonds (distance) C4'-P energy: -89.156 bonds (distance) P-C4' energy: -94.401 flat angles C4'-P-C4' energy: -104.444 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -130.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1501.446759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.446759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.446759 (E_RNA) where: Base-Base interactions energy: -1050.350 where: short stacking energy: -439.137 Base-Backbone interact. energy: 1.804 local terms energy: -452.900476 where: bonds (distance) C4'-P energy: -89.261 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -103.960 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: -105.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1488.766979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.766979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.766979 (E_RNA) where: Base-Base interactions energy: -1039.340 where: short stacking energy: -414.047 Base-Backbone interact. energy: -1.153 local terms energy: -448.273687 where: bonds (distance) C4'-P energy: -80.518 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -106.352 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -120.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1348.224279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.224279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.224279 (E_RNA) where: Base-Base interactions energy: -925.374 where: short stacking energy: -402.705 Base-Backbone interact. energy: 0.256 local terms energy: -423.106706 where: bonds (distance) C4'-P energy: -82.829 bonds (distance) P-C4' energy: -83.595 flat angles C4'-P-C4' energy: -98.078 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -94.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1234.401971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.401971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.401971 (E_RNA) where: Base-Base interactions energy: -851.350 where: short stacking energy: -362.781 Base-Backbone interact. energy: -1.521 local terms energy: -381.531394 where: bonds (distance) C4'-P energy: -72.417 bonds (distance) P-C4' energy: -81.191 flat angles C4'-P-C4' energy: -85.224 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -88.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1010.507108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.507108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.507108 (E_RNA) where: Base-Base interactions energy: -642.744 where: short stacking energy: -277.478 Base-Backbone interact. energy: -2.854 local terms energy: -364.908581 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -84.756 flat angles C4'-P-C4' energy: -94.275 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -57.340 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: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -938.349983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.349983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.349983 (E_RNA) where: Base-Base interactions energy: -608.788 where: short stacking energy: -260.828 Base-Backbone interact. energy: -3.458 local terms energy: -326.103400 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -86.146 flat angles C4'-P-C4' energy: -74.352 flat angles P-C4'-P energy: -60.544 tors. eta vs tors. theta energy: -23.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -595.482276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.482276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.482276 (E_RNA) where: Base-Base interactions energy: -303.589 where: short stacking energy: -165.138 Base-Backbone interact. energy: -2.284 local terms energy: -289.609024 where: bonds (distance) C4'-P energy: -69.558 bonds (distance) P-C4' energy: -77.523 flat angles C4'-P-C4' energy: -78.818 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -15.260 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: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1792.214688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.214688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.214688 (E_RNA) where: Base-Base interactions energy: -1268.837 where: short stacking energy: -521.565 Base-Backbone interact. energy: -1.196 local terms energy: -522.181598 where: bonds (distance) C4'-P energy: -89.490 bonds (distance) P-C4' energy: -94.964 flat angles C4'-P-C4' energy: -112.605 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: -147.889 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: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1692.571139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.571139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.571139 (E_RNA) where: Base-Base interactions energy: -1172.033 where: short stacking energy: -493.992 Base-Backbone interact. energy: -3.379 local terms energy: -517.159133 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -87.255 flat angles C4'-P-C4' energy: -109.379 flat angles P-C4'-P energy: -80.635 tors. eta vs tors. theta energy: -146.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1631.301266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.301266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.301266 (E_RNA) where: Base-Base interactions energy: -1159.108 where: short stacking energy: -472.685 Base-Backbone interact. energy: 2.896 local terms energy: -475.088927 where: bonds (distance) C4'-P energy: -80.645 bonds (distance) P-C4' energy: -104.280 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -127.789 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: 387 Temperature: 1.050000 Total energy: -1517.616697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.616697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.616697 (E_RNA) where: Base-Base interactions energy: -1079.092 where: short stacking energy: -431.356 Base-Backbone interact. energy: -1.936 local terms energy: -436.588873 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -83.957 flat angles C4'-P-C4' energy: -89.094 flat angles P-C4'-P energy: -62.208 tors. eta vs tors. theta energy: -117.303 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: 387 Temperature: 1.100000 Total energy: -1411.057964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.057964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.057964 (E_RNA) where: Base-Base interactions energy: -1001.511 where: short stacking energy: -411.549 Base-Backbone interact. energy: 5.648 local terms energy: -415.194506 where: bonds (distance) C4'-P energy: -77.349 bonds (distance) P-C4' energy: -81.963 flat angles C4'-P-C4' energy: -90.042 flat angles P-C4'-P energy: -65.379 tors. eta vs tors. theta energy: -100.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1349.560149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.560149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.560149 (E_RNA) where: Base-Base interactions energy: -926.815 where: short stacking energy: -384.137 Base-Backbone interact. energy: -1.508 local terms energy: -421.237082 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -100.364 flat angles P-C4'-P energy: -63.059 tors. eta vs tors. theta energy: -100.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1189.553865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.553865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.553865 (E_RNA) where: Base-Base interactions energy: -796.445 where: short stacking energy: -358.285 Base-Backbone interact. energy: -2.851 local terms energy: -390.258385 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -84.458 flat angles C4'-P-C4' energy: -93.243 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -82.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1036.615584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.615584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.615584 (E_RNA) where: Base-Base interactions energy: -656.993 where: short stacking energy: -298.209 Base-Backbone interact. energy: 2.002 local terms energy: -381.624408 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -75.826 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -62.785 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: 387 Temperature: 1.300000 Total energy: -874.007078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.007078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.007078 (E_RNA) where: Base-Base interactions energy: -570.361 where: short stacking energy: -237.427 Base-Backbone interact. energy: -0.520 local terms energy: -303.125450 where: bonds (distance) C4'-P energy: -85.694 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -59.418 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -28.284 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: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -556.359449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.359449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.359449 (E_RNA) where: Base-Base interactions energy: -282.991 where: short stacking energy: -142.138 Base-Backbone interact. energy: -0.642 local terms energy: -272.726986 where: bonds (distance) C4'-P energy: -85.801 bonds (distance) P-C4' energy: -88.752 flat angles C4'-P-C4' energy: -57.587 flat angles P-C4'-P energy: -38.522 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1797.911376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.911376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.911376 (E_RNA) where: Base-Base interactions energy: -1254.967 where: short stacking energy: -519.832 Base-Backbone interact. energy: 0.667 local terms energy: -543.611466 where: bonds (distance) C4'-P energy: -100.695 bonds (distance) P-C4' energy: -106.650 flat angles C4'-P-C4' energy: -108.496 flat angles P-C4'-P energy: -71.842 tors. eta vs tors. theta energy: -155.929 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: 388 Temperature: 0.950000 Total energy: -1707.838889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.838889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.838889 (E_RNA) where: Base-Base interactions energy: -1186.298 where: short stacking energy: -508.476 Base-Backbone interact. energy: -0.632 local terms energy: -520.909462 where: bonds (distance) C4'-P energy: -97.032 bonds (distance) P-C4' energy: -84.075 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -79.940 tors. eta vs tors. theta energy: -150.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1597.822839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.822839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.822839 (E_RNA) where: Base-Base interactions energy: -1164.381 where: short stacking energy: -460.270 Base-Backbone interact. energy: -0.922 local terms energy: -432.520255 where: bonds (distance) C4'-P energy: -91.918 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -94.282 flat angles P-C4'-P energy: -47.677 tors. eta vs tors. theta energy: -116.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1496.256737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.256737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.256737 (E_RNA) where: Base-Base interactions energy: -1052.021 where: short stacking energy: -441.240 Base-Backbone interact. energy: -0.937 local terms energy: -443.299040 where: bonds (distance) C4'-P energy: -87.499 bonds (distance) P-C4' energy: -87.036 flat angles C4'-P-C4' energy: -101.553 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -116.087 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: 388 Temperature: 1.100000 Total energy: -1399.312835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.312835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.312835 (E_RNA) where: Base-Base interactions energy: -981.154 where: short stacking energy: -411.054 Base-Backbone interact. energy: -0.608 local terms energy: -417.550720 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -76.721 flat angles C4'-P-C4' energy: -82.400 flat angles P-C4'-P energy: -65.885 tors. eta vs tors. theta energy: -102.319 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: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1322.754584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.754584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.754584 (E_RNA) where: Base-Base interactions energy: -890.188 where: short stacking energy: -396.003 Base-Backbone interact. energy: -0.995 local terms energy: -431.571422 where: bonds (distance) C4'-P energy: -77.483 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -100.047 flat angles P-C4'-P energy: -57.012 tors. eta vs tors. theta energy: -106.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1210.710134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.710134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.710134 (E_RNA) where: Base-Base interactions energy: -831.117 where: short stacking energy: -375.501 Base-Backbone interact. energy: -1.307 local terms energy: -378.285180 where: bonds (distance) C4'-P energy: -72.912 bonds (distance) P-C4' energy: -82.000 flat angles C4'-P-C4' energy: -79.096 flat angles P-C4'-P energy: -55.257 tors. eta vs tors. theta energy: -89.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1052.128928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.128928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.128928 (E_RNA) where: Base-Base interactions energy: -688.918 where: short stacking energy: -321.894 Base-Backbone interact. energy: -1.341 local terms energy: -361.869198 where: bonds (distance) C4'-P energy: -66.031 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -92.857 flat angles P-C4'-P energy: -55.121 tors. eta vs tors. theta energy: -75.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -919.280076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.280076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.280076 (E_RNA) where: Base-Base interactions energy: -563.951 where: short stacking energy: -261.538 Base-Backbone interact. energy: -0.115 local terms energy: -355.213992 where: bonds (distance) C4'-P energy: -83.810 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -98.503 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -38.937 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: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -515.483005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.483005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.483005 (E_RNA) where: Base-Base interactions energy: -244.436 where: short stacking energy: -170.842 Base-Backbone interact. energy: -1.533 local terms energy: -269.514257 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -88.812 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -25.826 tors. eta vs tors. theta energy: 6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1797.072912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.072912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.072912 (E_RNA) where: Base-Base interactions energy: -1262.911 where: short stacking energy: -516.092 Base-Backbone interact. energy: -0.269 local terms energy: -533.892873 where: bonds (distance) C4'-P energy: -94.458 bonds (distance) P-C4' energy: -98.229 flat angles C4'-P-C4' energy: -104.558 flat angles P-C4'-P energy: -81.296 tors. eta vs tors. theta energy: -155.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1721.499399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.499399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.499399 (E_RNA) where: Base-Base interactions energy: -1197.091 where: short stacking energy: -508.019 Base-Backbone interact. energy: -1.153 local terms energy: -523.255240 where: bonds (distance) C4'-P energy: -94.861 bonds (distance) P-C4' energy: -90.109 flat angles C4'-P-C4' energy: -109.624 flat angles P-C4'-P energy: -83.123 tors. eta vs tors. theta energy: -145.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1642.456205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.456205 (E_RNA) where: Base-Base interactions energy: -1163.619 where: short stacking energy: -477.155 Base-Backbone interact. energy: -2.388 local terms energy: -476.448876 where: bonds (distance) C4'-P energy: -80.642 bonds (distance) P-C4' energy: -104.626 flat angles C4'-P-C4' energy: -102.317 flat angles P-C4'-P energy: -69.091 tors. eta vs tors. theta energy: -119.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1522.818379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.818379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.818379 (E_RNA) where: Base-Base interactions energy: -1074.478 where: short stacking energy: -461.636 Base-Backbone interact. energy: -1.681 local terms energy: -446.658720 where: bonds (distance) C4'-P energy: -74.187 bonds (distance) P-C4' energy: -83.913 flat angles C4'-P-C4' energy: -103.471 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -121.692 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: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1460.976569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.976569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.976569 (E_RNA) where: Base-Base interactions energy: -1034.793 where: short stacking energy: -428.987 Base-Backbone interact. energy: -1.724 local terms energy: -424.460265 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -75.337 flat angles C4'-P-C4' energy: -101.870 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -108.744 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: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1306.474542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.474542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.474542 (E_RNA) where: Base-Base interactions energy: -884.149 where: short stacking energy: -391.816 Base-Backbone interact. energy: 1.565 local terms energy: -423.890436 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -80.665 flat angles C4'-P-C4' energy: -73.909 flat angles P-C4'-P energy: -70.548 tors. eta vs tors. theta energy: -107.935 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: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1178.413337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.413337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.413337 (E_RNA) where: Base-Base interactions energy: -791.847 where: short stacking energy: -368.909 Base-Backbone interact. energy: 7.380 local terms energy: -393.946362 where: bonds (distance) C4'-P energy: -74.320 bonds (distance) P-C4' energy: -83.298 flat angles C4'-P-C4' energy: -95.051 flat angles P-C4'-P energy: -57.506 tors. eta vs tors. theta energy: -83.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1002.935500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.935500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.935500 (E_RNA) where: Base-Base interactions energy: -652.721 where: short stacking energy: -273.696 Base-Backbone interact. energy: 0.486 local terms energy: -350.700321 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -81.076 flat angles C4'-P-C4' energy: -85.688 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -56.066 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: 389 Temperature: 1.300000 Total energy: -915.418749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.418749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.418749 (E_RNA) where: Base-Base interactions energy: -597.917 where: short stacking energy: -246.349 Base-Backbone interact. energy: -1.143 local terms energy: -316.359083 where: bonds (distance) C4'-P energy: -66.951 bonds (distance) P-C4' energy: -81.044 flat angles C4'-P-C4' energy: -78.223 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -44.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -511.173353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.173353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.173353 (E_RNA) where: Base-Base interactions energy: -243.191 where: short stacking energy: -151.316 Base-Backbone interact. energy: 0.179 local terms energy: -268.161653 where: bonds (distance) C4'-P energy: -80.119 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -82.569 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: 2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1794.187981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.187981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.187981 (E_RNA) where: Base-Base interactions energy: -1256.559 where: short stacking energy: -522.409 Base-Backbone interact. energy: -3.629 local terms energy: -533.999311 where: bonds (distance) C4'-P energy: -98.441 bonds (distance) P-C4' energy: -97.640 flat angles C4'-P-C4' energy: -100.103 flat angles P-C4'-P energy: -79.278 tors. eta vs tors. theta energy: -158.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1692.061853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.061853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.061853 (E_RNA) where: Base-Base interactions energy: -1167.635 where: short stacking energy: -491.287 Base-Backbone interact. energy: -2.233 local terms energy: -522.193423 where: bonds (distance) C4'-P energy: -91.821 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -143.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1622.804824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.804824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.804824 (E_RNA) where: Base-Base interactions energy: -1158.504 where: short stacking energy: -451.076 Base-Backbone interact. energy: -3.458 local terms energy: -460.842137 where: bonds (distance) C4'-P energy: -89.427 bonds (distance) P-C4' energy: -77.941 flat angles C4'-P-C4' energy: -118.739 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -112.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1520.328115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.328115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.328115 (E_RNA) where: Base-Base interactions energy: -1060.441 where: short stacking energy: -425.952 Base-Backbone interact. energy: -2.615 local terms energy: -457.272074 where: bonds (distance) C4'-P energy: -79.021 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -111.851 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: 390 Temperature: 1.100000 Total energy: -1450.597834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.597834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.597834 (E_RNA) where: Base-Base interactions energy: -1028.014 where: short stacking energy: -402.269 Base-Backbone interact. energy: -2.156 local terms energy: -420.427791 where: bonds (distance) C4'-P energy: -84.196 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -93.736 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -100.922 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: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1351.371953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.371953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.371953 (E_RNA) where: Base-Base interactions energy: -921.674 where: short stacking energy: -400.417 Base-Backbone interact. energy: -1.988 local terms energy: -427.709621 where: bonds (distance) C4'-P energy: -87.319 bonds (distance) P-C4' energy: -77.439 flat angles C4'-P-C4' energy: -92.423 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -112.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1194.965223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.965223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.965223 (E_RNA) where: Base-Base interactions energy: -812.653 where: short stacking energy: -344.402 Base-Backbone interact. energy: 0.783 local terms energy: -383.095351 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -81.191 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -58.004 tors. eta vs tors. theta energy: -85.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1003.437569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.437569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.437569 (E_RNA) where: Base-Base interactions energy: -640.938 where: short stacking energy: -300.961 Base-Backbone interact. energy: 0.881 local terms energy: -363.380941 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -76.942 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -62.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -917.917418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.917418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.917418 (E_RNA) where: Base-Base interactions energy: -602.096 where: short stacking energy: -272.871 Base-Backbone interact. energy: 4.186 local terms energy: -320.006752 where: bonds (distance) C4'-P energy: -73.411 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -73.755 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -59.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -489.197525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.197525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.197525 (E_RNA) where: Base-Base interactions energy: -247.451 where: short stacking energy: -153.808 Base-Backbone interact. energy: -1.685 local terms energy: -240.062016 where: bonds (distance) C4'-P energy: -74.742 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -39.298 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1815.331455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.331455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.331455 (E_RNA) where: Base-Base interactions energy: -1289.647 where: short stacking energy: -523.893 Base-Backbone interact. energy: -1.361 local terms energy: -524.323408 where: bonds (distance) C4'-P energy: -90.603 bonds (distance) P-C4' energy: -92.647 flat angles C4'-P-C4' energy: -104.435 flat angles P-C4'-P energy: -79.284 tors. eta vs tors. theta energy: -157.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1668.618385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.618385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.618385 (E_RNA) where: Base-Base interactions energy: -1167.562 where: short stacking energy: -490.346 Base-Backbone interact. energy: -5.901 local terms energy: -495.155315 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -93.569 flat angles C4'-P-C4' energy: -109.868 flat angles P-C4'-P energy: -77.883 tors. eta vs tors. theta energy: -138.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1618.920341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.920341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.920341 (E_RNA) where: Base-Base interactions energy: -1159.332 where: short stacking energy: -466.241 Base-Backbone interact. energy: -0.981 local terms energy: -458.607157 where: bonds (distance) C4'-P energy: -77.796 bonds (distance) P-C4' energy: -99.992 flat angles C4'-P-C4' energy: -95.921 flat angles P-C4'-P energy: -64.798 tors. eta vs tors. theta energy: -120.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1518.024972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.024972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.024972 (E_RNA) where: Base-Base interactions energy: -1096.382 where: short stacking energy: -446.387 Base-Backbone interact. energy: -2.275 local terms energy: -419.368907 where: bonds (distance) C4'-P energy: -72.972 bonds (distance) P-C4' energy: -74.753 flat angles C4'-P-C4' energy: -91.287 flat angles P-C4'-P energy: -72.158 tors. eta vs tors. theta energy: -108.199 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: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1481.036972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.036972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.036972 (E_RNA) where: Base-Base interactions energy: -1033.838 where: short stacking energy: -449.209 Base-Backbone interact. energy: -2.321 local terms energy: -444.878059 where: bonds (distance) C4'-P energy: -88.924 bonds (distance) P-C4' energy: -80.869 flat angles C4'-P-C4' energy: -99.028 flat angles P-C4'-P energy: -58.622 tors. eta vs tors. theta energy: -117.434 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: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1278.081866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.081866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.081866 (E_RNA) where: Base-Base interactions energy: -877.401 where: short stacking energy: -377.973 Base-Backbone interact. energy: -2.150 local terms energy: -398.530453 where: bonds (distance) C4'-P energy: -86.796 bonds (distance) P-C4' energy: -73.753 flat angles C4'-P-C4' energy: -93.743 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -90.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1234.849746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.849746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.849746 (E_RNA) where: Base-Base interactions energy: -824.099 where: short stacking energy: -378.172 Base-Backbone interact. energy: -1.452 local terms energy: -409.298833 where: bonds (distance) C4'-P energy: -80.171 bonds (distance) P-C4' energy: -88.797 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -100.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1068.420853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.420853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.420853 (E_RNA) where: Base-Base interactions energy: -698.217 where: short stacking energy: -307.618 Base-Backbone interact. energy: -1.194 local terms energy: -369.009261 where: bonds (distance) C4'-P energy: -63.443 bonds (distance) P-C4' energy: -84.884 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -54.469 tors. eta vs tors. theta energy: -72.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -922.487937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.487937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.487937 (E_RNA) where: Base-Base interactions energy: -589.465 where: short stacking energy: -263.613 Base-Backbone interact. energy: 1.332 local terms energy: -334.355407 where: bonds (distance) C4'-P energy: -78.073 bonds (distance) P-C4' energy: -91.273 flat angles C4'-P-C4' energy: -78.252 flat angles P-C4'-P energy: -35.785 tors. eta vs tors. theta energy: -50.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -509.726284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.726284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.726284 (E_RNA) where: Base-Base interactions energy: -242.008 where: short stacking energy: -131.636 Base-Backbone interact. energy: -0.118 local terms energy: -267.600291 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -59.860 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: 4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1808.388843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.388843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.388843 (E_RNA) where: Base-Base interactions energy: -1291.165 where: short stacking energy: -510.333 Base-Backbone interact. energy: -0.714 local terms energy: -516.509617 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -114.946 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -150.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1672.804211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.804211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.804211 (E_RNA) where: Base-Base interactions energy: -1176.494 where: short stacking energy: -514.105 Base-Backbone interact. energy: -3.617 local terms energy: -492.693229 where: bonds (distance) C4'-P energy: -94.954 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -108.870 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -142.692 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: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1618.988858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.988858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.988858 (E_RNA) where: Base-Base interactions energy: -1167.923 where: short stacking energy: -447.519 Base-Backbone interact. energy: -2.299 local terms energy: -448.767277 where: bonds (distance) C4'-P energy: -75.870 bonds (distance) P-C4' energy: -92.298 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -68.982 tors. eta vs tors. theta energy: -119.062 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: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1520.790910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.790910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.790910 (E_RNA) where: Base-Base interactions energy: -1079.479 where: short stacking energy: -442.742 Base-Backbone interact. energy: -2.030 local terms energy: -439.281789 where: bonds (distance) C4'-P energy: -78.242 bonds (distance) P-C4' energy: -90.320 flat angles C4'-P-C4' energy: -106.414 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: -115.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1484.268276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.268276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.268276 (E_RNA) where: Base-Base interactions energy: -1044.600 where: short stacking energy: -442.191 Base-Backbone interact. energy: -1.887 local terms energy: -437.781426 where: bonds (distance) C4'-P energy: -62.722 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -111.688 flat angles P-C4'-P energy: -70.918 tors. eta vs tors. theta energy: -114.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1257.366115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.366115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.366115 (E_RNA) where: Base-Base interactions energy: -832.581 where: short stacking energy: -358.585 Base-Backbone interact. energy: 1.134 local terms energy: -425.919287 where: bonds (distance) C4'-P energy: -84.482 bonds (distance) P-C4' energy: -95.489 flat angles C4'-P-C4' energy: -93.524 flat angles P-C4'-P energy: -67.883 tors. eta vs tors. theta energy: -84.541 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: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1204.440232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.440232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.440232 (E_RNA) where: Base-Base interactions energy: -795.112 where: short stacking energy: -351.934 Base-Backbone interact. energy: -2.858 local terms energy: -406.469651 where: bonds (distance) C4'-P energy: -77.262 bonds (distance) P-C4' energy: -81.216 flat angles C4'-P-C4' energy: -87.905 flat angles P-C4'-P energy: -59.571 tors. eta vs tors. theta energy: -100.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1078.551747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.551747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.551747 (E_RNA) where: Base-Base interactions energy: -716.817 where: short stacking energy: -291.122 Base-Backbone interact. energy: -2.413 local terms energy: -359.321855 where: bonds (distance) C4'-P energy: -75.362 bonds (distance) P-C4' energy: -76.169 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -62.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -925.565581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.565581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.565581 (E_RNA) where: Base-Base interactions energy: -607.045 where: short stacking energy: -285.937 Base-Backbone interact. energy: -2.311 local terms energy: -316.209354 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -73.141 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -54.031 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: 10, replica: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -524.904011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.904011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.904011 (E_RNA) where: Base-Base interactions energy: -260.499 where: short stacking energy: -161.773 Base-Backbone interact. energy: -2.329 local terms energy: -262.075576 where: bonds (distance) C4'-P energy: -68.629 bonds (distance) P-C4' energy: -86.357 flat angles C4'-P-C4' energy: -56.390 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1825.082273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.082273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.082273 (E_RNA) where: Base-Base interactions energy: -1292.449 where: short stacking energy: -510.328 Base-Backbone interact. energy: -0.866 local terms energy: -531.767505 where: bonds (distance) C4'-P energy: -105.089 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -115.422 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -152.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1693.778736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.778736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.778736 (E_RNA) where: Base-Base interactions energy: -1193.765 where: short stacking energy: -512.563 Base-Backbone interact. energy: -7.278 local terms energy: -492.735827 where: bonds (distance) C4'-P energy: -86.906 bonds (distance) P-C4' energy: -99.325 flat angles C4'-P-C4' energy: -101.213 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -140.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1653.083160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.083160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.083160 (E_RNA) where: Base-Base interactions energy: -1195.647 where: short stacking energy: -452.914 Base-Backbone interact. energy: -0.731 local terms energy: -456.704803 where: bonds (distance) C4'-P energy: -95.171 bonds (distance) P-C4' energy: -77.622 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -62.690 tors. eta vs tors. theta energy: -123.982 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: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1511.598190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.598190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.598190 (E_RNA) where: Base-Base interactions energy: -1049.457 where: short stacking energy: -442.941 Base-Backbone interact. energy: -2.631 local terms energy: -459.509642 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -93.273 flat angles C4'-P-C4' energy: -104.260 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -120.116 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: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1433.306947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.306947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.306947 (E_RNA) where: Base-Base interactions energy: -1008.884 where: short stacking energy: -399.009 Base-Backbone interact. energy: -0.304 local terms energy: -424.118389 where: bonds (distance) C4'-P energy: -80.641 bonds (distance) P-C4' energy: -88.036 flat angles C4'-P-C4' energy: -98.359 flat angles P-C4'-P energy: -60.698 tors. eta vs tors. theta energy: -96.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1287.675047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.675047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.675047 (E_RNA) where: Base-Base interactions energy: -892.955 where: short stacking energy: -364.454 Base-Backbone interact. energy: 0.239 local terms energy: -394.958935 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -76.345 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -89.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1180.488400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.488400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.488400 (E_RNA) where: Base-Base interactions energy: -775.625 where: short stacking energy: -367.378 Base-Backbone interact. energy: -0.060 local terms energy: -404.802849 where: bonds (distance) C4'-P energy: -85.581 bonds (distance) P-C4' energy: -85.890 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -95.836 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: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1088.115129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.115129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.115129 (E_RNA) where: Base-Base interactions energy: -713.393 where: short stacking energy: -321.990 Base-Backbone interact. energy: 0.053 local terms energy: -374.775566 where: bonds (distance) C4'-P energy: -81.342 bonds (distance) P-C4' energy: -74.791 flat angles C4'-P-C4' energy: -92.016 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -74.341 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: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -898.648268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.648268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.648268 (E_RNA) where: Base-Base interactions energy: -577.011 where: short stacking energy: -253.121 Base-Backbone interact. energy: 1.221 local terms energy: -322.858457 where: bonds (distance) C4'-P energy: -58.516 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -85.385 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -41.518 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: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -493.295986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.295986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.295986 (E_RNA) where: Base-Base interactions energy: -227.701 where: short stacking energy: -132.037 Base-Backbone interact. energy: -1.738 local terms energy: -263.856895 where: bonds (distance) C4'-P energy: -83.583 bonds (distance) P-C4' energy: -78.787 flat angles C4'-P-C4' energy: -77.013 flat angles P-C4'-P energy: -33.825 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: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1785.371023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.371023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.371023 (E_RNA) where: Base-Base interactions energy: -1263.795 where: short stacking energy: -517.243 Base-Backbone interact. energy: 2.555 local terms energy: -524.130394 where: bonds (distance) C4'-P energy: -97.848 bonds (distance) P-C4' energy: -102.631 flat angles C4'-P-C4' energy: -109.922 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -149.772 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1688.072537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.072537 (E_RNA) where: Base-Base interactions energy: -1201.498 where: short stacking energy: -505.357 Base-Backbone interact. energy: -4.318 local terms energy: -482.257190 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -82.599 flat angles C4'-P-C4' energy: -113.627 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -136.179 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: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1637.924448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.924448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.924448 (E_RNA) where: Base-Base interactions energy: -1152.115 where: short stacking energy: -464.490 Base-Backbone interact. energy: 0.289 local terms energy: -486.098507 where: bonds (distance) C4'-P energy: -89.409 bonds (distance) P-C4' energy: -91.963 flat angles C4'-P-C4' energy: -115.040 flat angles P-C4'-P energy: -70.371 tors. eta vs tors. theta energy: -119.315 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: 394 Temperature: 1.050000 Total energy: -1531.158951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.158951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.158951 (E_RNA) where: Base-Base interactions energy: -1062.801 where: short stacking energy: -446.405 Base-Backbone interact. energy: 2.519 local terms energy: -470.876217 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -106.594 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: -120.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1453.462057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.462057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.462057 (E_RNA) where: Base-Base interactions energy: -1029.441 where: short stacking energy: -421.244 Base-Backbone interact. energy: -0.274 local terms energy: -423.747247 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -99.860 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: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1322.576090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.576090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.576090 (E_RNA) where: Base-Base interactions energy: -912.241 where: short stacking energy: -398.176 Base-Backbone interact. energy: 0.245 local terms energy: -410.580254 where: bonds (distance) C4'-P energy: -82.458 bonds (distance) P-C4' energy: -83.973 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -50.910 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: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1210.886015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.886015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.886015 (E_RNA) where: Base-Base interactions energy: -821.828 where: short stacking energy: -374.474 Base-Backbone interact. energy: -1.502 local terms energy: -387.555806 where: bonds (distance) C4'-P energy: -76.761 bonds (distance) P-C4' energy: -71.969 flat angles C4'-P-C4' energy: -90.603 flat angles P-C4'-P energy: -50.504 tors. eta vs tors. theta energy: -97.718 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: 394 Temperature: 1.250000 Total energy: -1107.015169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.015169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.015169 (E_RNA) where: Base-Base interactions energy: -756.840 where: short stacking energy: -348.304 Base-Backbone interact. energy: 0.957 local terms energy: -351.132103 where: bonds (distance) C4'-P energy: -71.876 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -84.055 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -69.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -953.844334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.844334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.844334 (E_RNA) where: Base-Base interactions energy: -618.895 where: short stacking energy: -297.222 Base-Backbone interact. energy: 1.170 local terms energy: -336.119196 where: bonds (distance) C4'-P energy: -72.739 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -78.950 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: -68.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -525.493137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.493137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.493137 (E_RNA) where: Base-Base interactions energy: -304.754 where: short stacking energy: -177.777 Base-Backbone interact. energy: -1.350 local terms energy: -219.389000 where: bonds (distance) C4'-P energy: -47.140 bonds (distance) P-C4' energy: -73.441 flat angles C4'-P-C4' energy: -52.120 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -0.916 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: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1786.664390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.664390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.664390 (E_RNA) where: Base-Base interactions energy: -1276.972 where: short stacking energy: -527.785 Base-Backbone interact. energy: -1.877 local terms energy: -507.815497 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -89.585 flat angles C4'-P-C4' energy: -104.113 flat angles P-C4'-P energy: -73.205 tors. eta vs tors. theta energy: -151.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1688.050160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.050160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.050160 (E_RNA) where: Base-Base interactions energy: -1182.341 where: short stacking energy: -480.558 Base-Backbone interact. energy: 0.181 local terms energy: -505.889872 where: bonds (distance) C4'-P energy: -96.911 bonds (distance) P-C4' energy: -100.060 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -138.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1661.991838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.991838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.991838 (E_RNA) where: Base-Base interactions energy: -1185.340 where: short stacking energy: -468.215 Base-Backbone interact. energy: -1.447 local terms energy: -475.204654 where: bonds (distance) C4'-P energy: -94.957 bonds (distance) P-C4' energy: -90.531 flat angles C4'-P-C4' energy: -93.243 flat angles P-C4'-P energy: -70.728 tors. eta vs tors. theta energy: -125.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1545.895359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.895359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.895359 (E_RNA) where: Base-Base interactions energy: -1094.922 where: short stacking energy: -458.667 Base-Backbone interact. energy: 3.142 local terms energy: -454.115264 where: bonds (distance) C4'-P energy: -88.097 bonds (distance) P-C4' energy: -71.925 flat angles C4'-P-C4' energy: -98.952 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -129.877 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1454.143273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.143273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.143273 (E_RNA) where: Base-Base interactions energy: -1017.644 where: short stacking energy: -437.288 Base-Backbone interact. energy: -2.286 local terms energy: -434.213575 where: bonds (distance) C4'-P energy: -76.677 bonds (distance) P-C4' energy: -86.633 flat angles C4'-P-C4' energy: -101.749 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1311.396411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.396411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.396411 (E_RNA) where: Base-Base interactions energy: -904.792 where: short stacking energy: -380.874 Base-Backbone interact. energy: -0.630 local terms energy: -405.974098 where: bonds (distance) C4'-P energy: -87.911 bonds (distance) P-C4' energy: -91.069 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -53.331 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: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1184.817487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.817487 (E_RNA) where: Base-Base interactions energy: -803.637 where: short stacking energy: -368.724 Base-Backbone interact. energy: 1.531 local terms energy: -382.711374 where: bonds (distance) C4'-P energy: -71.029 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -94.054 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -101.851 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: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1145.622203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.622203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.622203 (E_RNA) where: Base-Base interactions energy: -766.834 where: short stacking energy: -336.178 Base-Backbone interact. energy: -0.540 local terms energy: -378.247547 where: bonds (distance) C4'-P energy: -83.391 bonds (distance) P-C4' energy: -96.200 flat angles C4'-P-C4' energy: -84.863 flat angles P-C4'-P energy: -41.925 tors. eta vs tors. theta energy: -71.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -984.715425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.715425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.715425 (E_RNA) where: Base-Base interactions energy: -646.620 where: short stacking energy: -285.731 Base-Backbone interact. energy: -0.435 local terms energy: -337.660043 where: bonds (distance) C4'-P energy: -87.310 bonds (distance) P-C4' energy: -58.884 flat angles C4'-P-C4' energy: -82.327 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -56.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -494.842714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.842714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.842714 (E_RNA) where: Base-Base interactions energy: -215.114 where: short stacking energy: -123.815 Base-Backbone interact. energy: 2.372 local terms energy: -282.101145 where: bonds (distance) C4'-P energy: -84.839 bonds (distance) P-C4' energy: -79.962 flat angles C4'-P-C4' energy: -77.045 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: 10.023 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: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1801.935021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.935021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.935021 (E_RNA) where: Base-Base interactions energy: -1272.719 where: short stacking energy: -509.644 Base-Backbone interact. energy: -1.351 local terms energy: -527.865809 where: bonds (distance) C4'-P energy: -105.205 bonds (distance) P-C4' energy: -94.363 flat angles C4'-P-C4' energy: -107.576 flat angles P-C4'-P energy: -71.463 tors. eta vs tors. theta energy: -149.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1710.987776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.987776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.987776 (E_RNA) where: Base-Base interactions energy: -1191.657 where: short stacking energy: -498.643 Base-Backbone interact. energy: -3.064 local terms energy: -516.266774 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -109.810 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -142.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1664.771237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.771237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.771237 (E_RNA) where: Base-Base interactions energy: -1174.518 where: short stacking energy: -475.856 Base-Backbone interact. energy: -1.059 local terms energy: -489.194523 where: bonds (distance) C4'-P energy: -93.258 bonds (distance) P-C4' energy: -91.595 flat angles C4'-P-C4' energy: -108.505 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: -123.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1541.946716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.946716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.946716 (E_RNA) where: Base-Base interactions energy: -1078.432 where: short stacking energy: -452.607 Base-Backbone interact. energy: -2.983 local terms energy: -460.532387 where: bonds (distance) C4'-P energy: -90.572 bonds (distance) P-C4' energy: -78.861 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -71.167 tors. eta vs tors. theta energy: -116.697 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1440.351934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.351934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.351934 (E_RNA) where: Base-Base interactions energy: -1018.716 where: short stacking energy: -415.608 Base-Backbone interact. energy: -2.443 local terms energy: -419.193794 where: bonds (distance) C4'-P energy: -78.943 bonds (distance) P-C4' energy: -79.035 flat angles C4'-P-C4' energy: -97.074 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -97.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1300.505603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.505603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.505603 (E_RNA) where: Base-Base interactions energy: -875.810 where: short stacking energy: -344.095 Base-Backbone interact. energy: -3.744 local terms energy: -420.951195 where: bonds (distance) C4'-P energy: -86.545 bonds (distance) P-C4' energy: -96.176 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -62.293 tors. eta vs tors. theta energy: -85.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1194.175714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.175714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.175714 (E_RNA) where: Base-Base interactions energy: -805.059 where: short stacking energy: -353.690 Base-Backbone interact. energy: -1.789 local terms energy: -387.328394 where: bonds (distance) C4'-P energy: -78.788 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -95.874 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -75.999 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: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1128.829901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.829901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.829901 (E_RNA) where: Base-Base interactions energy: -767.055 where: short stacking energy: -336.823 Base-Backbone interact. energy: -1.202 local terms energy: -360.573181 where: bonds (distance) C4'-P energy: -69.442 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -87.699 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -78.640 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: 9, replica: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -930.926761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.926761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.926761 (E_RNA) where: Base-Base interactions energy: -595.818 where: short stacking energy: -269.330 Base-Backbone interact. energy: 4.107 local terms energy: -339.215890 where: bonds (distance) C4'-P energy: -78.123 bonds (distance) P-C4' energy: -93.746 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -51.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -523.137695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.137695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.137695 (E_RNA) where: Base-Base interactions energy: -260.800 where: short stacking energy: -145.305 Base-Backbone interact. energy: 1.127 local terms energy: -263.464982 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -70.655 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: 7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1825.441562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.441562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.441562 (E_RNA) where: Base-Base interactions energy: -1293.025 where: short stacking energy: -536.626 Base-Backbone interact. energy: -4.480 local terms energy: -527.936514 where: bonds (distance) C4'-P energy: -87.081 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -81.751 tors. eta vs tors. theta energy: -153.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1712.239257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.239257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.239257 (E_RNA) where: Base-Base interactions energy: -1180.637 where: short stacking energy: -500.549 Base-Backbone interact. energy: -4.814 local terms energy: -526.788530 where: bonds (distance) C4'-P energy: -91.657 bonds (distance) P-C4' energy: -98.288 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -76.174 tors. eta vs tors. theta energy: -154.007 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1660.059185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.059185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.059185 (E_RNA) where: Base-Base interactions energy: -1169.393 where: short stacking energy: -459.938 Base-Backbone interact. energy: -3.058 local terms energy: -487.608075 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -93.335 flat angles C4'-P-C4' energy: -99.613 flat angles P-C4'-P energy: -72.613 tors. eta vs tors. theta energy: -124.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1514.969064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.969064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.969064 (E_RNA) where: Base-Base interactions energy: -1052.965 where: short stacking energy: -427.602 Base-Backbone interact. energy: 2.594 local terms energy: -464.598301 where: bonds (distance) C4'-P energy: -97.202 bonds (distance) P-C4' energy: -96.791 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -61.664 tors. eta vs tors. theta energy: -110.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1412.462958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.462958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.462958 (E_RNA) where: Base-Base interactions energy: -1018.780 where: short stacking energy: -398.772 Base-Backbone interact. energy: -3.242 local terms energy: -390.440820 where: bonds (distance) C4'-P energy: -75.556 bonds (distance) P-C4' energy: -88.144 flat angles C4'-P-C4' energy: -79.851 flat angles P-C4'-P energy: -55.799 tors. eta vs tors. theta energy: -91.092 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: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1284.176117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.176117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.176117 (E_RNA) where: Base-Base interactions energy: -861.602 where: short stacking energy: -384.100 Base-Backbone interact. energy: 3.384 local terms energy: -425.958253 where: bonds (distance) C4'-P energy: -74.649 bonds (distance) P-C4' energy: -96.235 flat angles C4'-P-C4' energy: -87.645 flat angles P-C4'-P energy: -62.147 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: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1166.710416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.710416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.710416 (E_RNA) where: Base-Base interactions energy: -763.517 where: short stacking energy: -339.404 Base-Backbone interact. energy: -0.572 local terms energy: -402.621206 where: bonds (distance) C4'-P energy: -77.123 bonds (distance) P-C4' energy: -86.377 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -90.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1087.540299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.540299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.540299 (E_RNA) where: Base-Base interactions energy: -732.389 where: short stacking energy: -337.024 Base-Backbone interact. energy: -1.160 local terms energy: -353.990611 where: bonds (distance) C4'-P energy: -69.196 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -89.928 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -75.123 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: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -892.581859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.581859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.581859 (E_RNA) where: Base-Base interactions energy: -570.042 where: short stacking energy: -255.577 Base-Backbone interact. energy: -0.178 local terms energy: -322.362511 where: bonds (distance) C4'-P energy: -65.129 bonds (distance) P-C4' energy: -73.048 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -47.703 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: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -664.341720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.341720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.341720 (E_RNA) where: Base-Base interactions energy: -373.944 where: short stacking energy: -187.200 Base-Backbone interact. energy: 3.811 local terms energy: -294.208125 where: bonds (distance) C4'-P energy: -66.638 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -51.021 tors. eta vs tors. theta energy: -22.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1787.832374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.832374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.832374 (E_RNA) where: Base-Base interactions energy: -1251.682 where: short stacking energy: -509.905 Base-Backbone interact. energy: -1.420 local terms energy: -534.730276 where: bonds (distance) C4'-P energy: -99.767 bonds (distance) P-C4' energy: -98.070 flat angles C4'-P-C4' energy: -101.765 flat angles P-C4'-P energy: -83.281 tors. eta vs tors. theta energy: -151.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1721.651359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.651359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.651359 (E_RNA) where: Base-Base interactions energy: -1198.674 where: short stacking energy: -519.610 Base-Backbone interact. energy: -3.086 local terms energy: -519.890848 where: bonds (distance) C4'-P energy: -89.685 bonds (distance) P-C4' energy: -83.691 flat angles C4'-P-C4' energy: -115.608 flat angles P-C4'-P energy: -77.958 tors. eta vs tors. theta energy: -152.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1627.121352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.121352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.121352 (E_RNA) where: Base-Base interactions energy: -1141.806 where: short stacking energy: -464.524 Base-Backbone interact. energy: -2.821 local terms energy: -482.493824 where: bonds (distance) C4'-P energy: -96.888 bonds (distance) P-C4' energy: -96.707 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -122.587 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: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1526.656451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.656451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.656451 (E_RNA) where: Base-Base interactions energy: -1085.317 where: short stacking energy: -450.585 Base-Backbone interact. energy: 4.712 local terms energy: -446.051410 where: bonds (distance) C4'-P energy: -94.655 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -94.492 flat angles P-C4'-P energy: -57.264 tors. eta vs tors. theta energy: -114.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1438.525332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.525332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.525332 (E_RNA) where: Base-Base interactions energy: -1007.047 where: short stacking energy: -409.956 Base-Backbone interact. energy: -1.904 local terms energy: -429.574341 where: bonds (distance) C4'-P energy: -78.900 bonds (distance) P-C4' energy: -83.794 flat angles C4'-P-C4' energy: -91.785 flat angles P-C4'-P energy: -64.758 tors. eta vs tors. theta energy: -110.339 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: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1268.944001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.944001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.944001 (E_RNA) where: Base-Base interactions energy: -870.490 where: short stacking energy: -361.892 Base-Backbone interact. energy: -4.218 local terms energy: -394.235841 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -74.488 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -88.075 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: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1143.253264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.253264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.253264 (E_RNA) where: Base-Base interactions energy: -739.228 where: short stacking energy: -340.407 Base-Backbone interact. energy: -0.638 local terms energy: -403.387789 where: bonds (distance) C4'-P energy: -95.993 bonds (distance) P-C4' energy: -82.404 flat angles C4'-P-C4' energy: -83.003 flat angles P-C4'-P energy: -57.982 tors. eta vs tors. theta energy: -84.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1096.155735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.155735 (E_RNA) where: Base-Base interactions energy: -712.614 where: short stacking energy: -315.368 Base-Backbone interact. energy: -0.681 local terms energy: -382.861093 where: bonds (distance) C4'-P energy: -85.627 bonds (distance) P-C4' energy: -78.703 flat angles C4'-P-C4' energy: -89.845 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -76.596 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: 398 Temperature: 1.300000 Total energy: -919.928793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.928793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.928793 (E_RNA) where: Base-Base interactions energy: -592.861 where: short stacking energy: -250.939 Base-Backbone interact. energy: -1.863 local terms energy: -325.205320 where: bonds (distance) C4'-P energy: -77.491 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -84.552 flat angles P-C4'-P energy: -52.802 tors. eta vs tors. theta energy: -44.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -626.829195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.829195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.829195 (E_RNA) where: Base-Base interactions energy: -349.817 where: short stacking energy: -190.035 Base-Backbone interact. energy: 0.144 local terms energy: -277.156406 where: bonds (distance) C4'-P energy: -69.174 bonds (distance) P-C4' energy: -80.060 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -28.531 tors. eta vs tors. theta energy: -13.768 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: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1769.872254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.872254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.872254 (E_RNA) where: Base-Base interactions energy: -1258.854 where: short stacking energy: -503.596 Base-Backbone interact. energy: -3.773 local terms energy: -507.245621 where: bonds (distance) C4'-P energy: -87.535 bonds (distance) P-C4' energy: -94.954 flat angles C4'-P-C4' energy: -110.653 flat angles P-C4'-P energy: -75.381 tors. eta vs tors. theta energy: -138.722 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: 399 Temperature: 0.950000 Total energy: -1728.859728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.859728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.859728 (E_RNA) where: Base-Base interactions energy: -1238.237 where: short stacking energy: -509.075 Base-Backbone interact. energy: -2.239 local terms energy: -488.383164 where: bonds (distance) C4'-P energy: -76.498 bonds (distance) P-C4' energy: -87.700 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -146.840 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1596.948810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.948810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.948810 (E_RNA) where: Base-Base interactions energy: -1101.688 where: short stacking energy: -457.756 Base-Backbone interact. energy: -3.831 local terms energy: -491.429648 where: bonds (distance) C4'-P energy: -87.612 bonds (distance) P-C4' energy: -92.600 flat angles C4'-P-C4' energy: -106.006 flat angles P-C4'-P energy: -76.528 tors. eta vs tors. theta energy: -128.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1515.055093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.055093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.055093 (E_RNA) where: Base-Base interactions energy: -1050.527 where: short stacking energy: -429.635 Base-Backbone interact. energy: -1.712 local terms energy: -462.815924 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -93.169 flat angles C4'-P-C4' energy: -96.237 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -122.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1422.485618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.485618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.485618 (E_RNA) where: Base-Base interactions energy: -1010.427 where: short stacking energy: -402.737 Base-Backbone interact. energy: -0.779 local terms energy: -411.280220 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -103.457 flat angles C4'-P-C4' energy: -107.932 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -85.494 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: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1257.150605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.150605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.150605 (E_RNA) where: Base-Base interactions energy: -863.142 where: short stacking energy: -374.896 Base-Backbone interact. energy: -1.253 local terms energy: -392.756004 where: bonds (distance) C4'-P energy: -80.265 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -88.423 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1166.423677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.423677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.423677 (E_RNA) where: Base-Base interactions energy: -773.970 where: short stacking energy: -356.125 Base-Backbone interact. energy: 1.160 local terms energy: -393.614518 where: bonds (distance) C4'-P energy: -73.791 bonds (distance) P-C4' energy: -89.425 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -55.170 tors. eta vs tors. theta energy: -91.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1084.995325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.995325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.995325 (E_RNA) where: Base-Base interactions energy: -707.471 where: short stacking energy: -293.384 Base-Backbone interact. energy: -1.385 local terms energy: -376.139418 where: bonds (distance) C4'-P energy: -89.883 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -85.614 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -63.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -969.937692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.937692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.937692 (E_RNA) where: Base-Base interactions energy: -631.999 where: short stacking energy: -305.036 Base-Backbone interact. energy: -0.227 local terms energy: -337.711411 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -83.901 flat angles C4'-P-C4' energy: -72.259 flat angles P-C4'-P energy: -51.590 tors. eta vs tors. theta energy: -52.339 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: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -542.848364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.848364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.848364 (E_RNA) where: Base-Base interactions energy: -304.362 where: short stacking energy: -140.143 Base-Backbone interact. energy: 5.161 local terms energy: -243.647442 where: bonds (distance) C4'-P energy: -70.030 bonds (distance) P-C4' energy: -86.119 flat angles C4'-P-C4' energy: -64.712 flat angles P-C4'-P energy: -29.819 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: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1783.017310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.017310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.017310 (E_RNA) where: Base-Base interactions energy: -1257.912 where: short stacking energy: -514.922 Base-Backbone interact. energy: -1.320 local terms energy: -523.786110 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -98.688 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -77.575 tors. eta vs tors. theta energy: -139.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1705.824469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.824469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.824469 (E_RNA) where: Base-Base interactions energy: -1196.936 where: short stacking energy: -496.064 Base-Backbone interact. energy: -2.704 local terms energy: -506.184313 where: bonds (distance) C4'-P energy: -95.314 bonds (distance) P-C4' energy: -91.389 flat angles C4'-P-C4' energy: -103.857 flat angles P-C4'-P energy: -72.804 tors. eta vs tors. theta energy: -142.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1627.894582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.894582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.894582 (E_RNA) where: Base-Base interactions energy: -1144.243 where: short stacking energy: -481.496 Base-Backbone interact. energy: -2.334 local terms energy: -481.317903 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -101.112 flat angles C4'-P-C4' energy: -98.168 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: -126.758 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: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1521.663353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.663353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.663353 (E_RNA) where: Base-Base interactions energy: -1065.445 where: short stacking energy: -462.518 Base-Backbone interact. energy: -1.958 local terms energy: -454.260089 where: bonds (distance) C4'-P energy: -87.332 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -99.836 flat angles P-C4'-P energy: -69.953 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: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1436.585727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.585727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.585727 (E_RNA) where: Base-Base interactions energy: -1023.113 where: short stacking energy: -407.398 Base-Backbone interact. energy: -1.895 local terms energy: -411.578402 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -90.221 flat angles C4'-P-C4' energy: -91.127 flat angles P-C4'-P energy: -48.374 tors. eta vs tors. theta energy: -99.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1306.632531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.632531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.632531 (E_RNA) where: Base-Base interactions energy: -904.203 where: short stacking energy: -387.276 Base-Backbone interact. energy: -2.128 local terms energy: -400.301327 where: bonds (distance) C4'-P energy: -70.914 bonds (distance) P-C4' energy: -76.415 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -67.017 tors. eta vs tors. theta energy: -97.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1166.427147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.427147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.427147 (E_RNA) where: Base-Base interactions energy: -781.053 where: short stacking energy: -337.684 Base-Backbone interact. energy: -1.099 local terms energy: -384.274624 where: bonds (distance) C4'-P energy: -83.078 bonds (distance) P-C4' energy: -81.215 flat angles C4'-P-C4' energy: -81.607 flat angles P-C4'-P energy: -52.940 tors. eta vs tors. theta energy: -85.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1147.427476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.427476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.427476 (E_RNA) where: Base-Base interactions energy: -764.449 where: short stacking energy: -354.360 Base-Backbone interact. energy: -0.189 local terms energy: -382.789250 where: bonds (distance) C4'-P energy: -88.638 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -87.163 flat angles P-C4'-P energy: -48.705 tors. eta vs tors. theta energy: -78.970 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: 400 Temperature: 1.300000 Total energy: -942.919269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.919269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.919269 (E_RNA) where: Base-Base interactions energy: -614.204 where: short stacking energy: -281.586 Base-Backbone interact. energy: 2.539 local terms energy: -331.254364 where: bonds (distance) C4'-P energy: -73.039 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -75.852 flat angles P-C4'-P energy: -46.567 tors. eta vs tors. theta energy: -49.703 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: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -545.201887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.201887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.201887 (E_RNA) where: Base-Base interactions energy: -260.062 where: short stacking energy: -144.819 Base-Backbone interact. energy: 0.638 local terms energy: -285.777551 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -81.442 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1774.852101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.852101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.852101 (E_RNA) where: Base-Base interactions energy: -1265.694 where: short stacking energy: -530.164 Base-Backbone interact. energy: 1.172 local terms energy: -510.329797 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -88.829 flat angles C4'-P-C4' energy: -105.335 flat angles P-C4'-P energy: -72.961 tors. eta vs tors. theta energy: -153.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1657.581788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.581788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.581788 (E_RNA) where: Base-Base interactions energy: -1167.740 where: short stacking energy: -488.035 Base-Backbone interact. energy: 1.613 local terms energy: -491.455328 where: bonds (distance) C4'-P energy: -90.202 bonds (distance) P-C4' energy: -101.320 flat angles C4'-P-C4' energy: -104.011 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -127.799 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: 401 Temperature: 1.000000 Total energy: -1631.947257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.947257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.947257 (E_RNA) where: Base-Base interactions energy: -1133.282 where: short stacking energy: -468.023 Base-Backbone interact. energy: -2.354 local terms energy: -496.311605 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -95.364 flat angles C4'-P-C4' energy: -112.251 flat angles P-C4'-P energy: -63.367 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: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1490.351678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.351678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.351678 (E_RNA) where: Base-Base interactions energy: -1033.667 where: short stacking energy: -429.974 Base-Backbone interact. energy: 1.423 local terms energy: -458.107636 where: bonds (distance) C4'-P energy: -85.614 bonds (distance) P-C4' energy: -96.093 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -71.383 tors. eta vs tors. theta energy: -102.908 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: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1475.068436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.068436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.068436 (E_RNA) where: Base-Base interactions energy: -1046.568 where: short stacking energy: -403.055 Base-Backbone interact. energy: -2.158 local terms energy: -426.341814 where: bonds (distance) C4'-P energy: -93.257 bonds (distance) P-C4' energy: -88.282 flat angles C4'-P-C4' energy: -88.627 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -92.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1335.959953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.959953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.959953 (E_RNA) where: Base-Base interactions energy: -918.135 where: short stacking energy: -397.287 Base-Backbone interact. energy: -2.966 local terms energy: -414.859002 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -78.918 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: -106.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1213.097912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.097912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.097912 (E_RNA) where: Base-Base interactions energy: -816.569 where: short stacking energy: -343.581 Base-Backbone interact. energy: 3.707 local terms energy: -400.235991 where: bonds (distance) C4'-P energy: -72.580 bonds (distance) P-C4' energy: -93.950 flat angles C4'-P-C4' energy: -92.303 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: -79.238 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: 401 Temperature: 1.250000 Total energy: -1149.336685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.336685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.336685 (E_RNA) where: Base-Base interactions energy: -772.521 where: short stacking energy: -309.984 Base-Backbone interact. energy: 3.837 local terms energy: -380.652531 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -90.848 flat angles C4'-P-C4' energy: -80.472 flat angles P-C4'-P energy: -61.843 tors. eta vs tors. theta energy: -75.696 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: 401 Temperature: 1.300000 Total energy: -922.072939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.072939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.072939 (E_RNA) where: Base-Base interactions energy: -584.275 where: short stacking energy: -263.930 Base-Backbone interact. energy: -0.772 local terms energy: -337.026350 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -81.689 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: -51.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -572.267188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.267188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.267188 (E_RNA) where: Base-Base interactions energy: -318.440 where: short stacking energy: -171.257 Base-Backbone interact. energy: -0.137 local terms energy: -253.689925 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -76.365 flat angles C4'-P-C4' energy: -82.294 flat angles P-C4'-P energy: -12.953 tors. eta vs tors. theta energy: -4.966 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: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1790.749253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.749253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.749253 (E_RNA) where: Base-Base interactions energy: -1261.432 where: short stacking energy: -531.082 Base-Backbone interact. energy: -0.448 local terms energy: -528.869937 where: bonds (distance) C4'-P energy: -87.758 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -118.715 flat angles P-C4'-P energy: -78.346 tors. eta vs tors. theta energy: -151.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1685.375114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.375114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.375114 (E_RNA) where: Base-Base interactions energy: -1184.339 where: short stacking energy: -501.138 Base-Backbone interact. energy: -2.193 local terms energy: -498.843145 where: bonds (distance) C4'-P energy: -88.841 bonds (distance) P-C4' energy: -96.208 flat angles C4'-P-C4' energy: -108.946 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -136.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1647.367258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.367258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.367258 (E_RNA) where: Base-Base interactions energy: -1145.641 where: short stacking energy: -477.204 Base-Backbone interact. energy: -5.881 local terms energy: -495.844738 where: bonds (distance) C4'-P energy: -80.678 bonds (distance) P-C4' energy: -104.168 flat angles C4'-P-C4' energy: -104.035 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -132.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1515.346729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.346729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.346729 (E_RNA) where: Base-Base interactions energy: -1068.523 where: short stacking energy: -476.878 Base-Backbone interact. energy: 1.745 local terms energy: -448.569291 where: bonds (distance) C4'-P energy: -75.581 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -99.395 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -132.112 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: 402 Temperature: 1.100000 Total energy: -1485.905804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.905804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.905804 (E_RNA) where: Base-Base interactions energy: -1052.066 where: short stacking energy: -416.035 Base-Backbone interact. energy: -0.203 local terms energy: -433.636899 where: bonds (distance) C4'-P energy: -89.335 bonds (distance) P-C4' energy: -80.846 flat angles C4'-P-C4' energy: -96.701 flat angles P-C4'-P energy: -65.727 tors. eta vs tors. theta energy: -101.028 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: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1310.021341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.021341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.021341 (E_RNA) where: Base-Base interactions energy: -901.158 where: short stacking energy: -359.848 Base-Backbone interact. energy: -2.640 local terms energy: -406.223792 where: bonds (distance) C4'-P energy: -79.338 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -82.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1193.816738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.816738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.816738 (E_RNA) where: Base-Base interactions energy: -794.710 where: short stacking energy: -337.287 Base-Backbone interact. energy: -1.797 local terms energy: -397.309433 where: bonds (distance) C4'-P energy: -98.261 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -90.246 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1116.197615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.197615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.197615 (E_RNA) where: Base-Base interactions energy: -753.210 where: short stacking energy: -325.711 Base-Backbone interact. energy: -2.015 local terms energy: -360.972222 where: bonds (distance) C4'-P energy: -73.247 bonds (distance) P-C4' energy: -76.251 flat angles C4'-P-C4' energy: -80.667 flat angles P-C4'-P energy: -51.983 tors. eta vs tors. theta energy: -78.825 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: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -871.554881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.554881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.554881 (E_RNA) where: Base-Base interactions energy: -538.386 where: short stacking energy: -247.465 Base-Backbone interact. energy: 2.804 local terms energy: -335.972598 where: bonds (distance) C4'-P energy: -67.181 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -52.102 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: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -548.418023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.418023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.418023 (E_RNA) where: Base-Base interactions energy: -282.398 where: short stacking energy: -168.900 Base-Backbone interact. energy: 10.310 local terms energy: -276.330306 where: bonds (distance) C4'-P energy: -86.394 bonds (distance) P-C4' energy: -77.934 flat angles C4'-P-C4' energy: -63.764 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: 0.850 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: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1782.515568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.515568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.515568 (E_RNA) where: Base-Base interactions energy: -1263.107 where: short stacking energy: -514.838 Base-Backbone interact. energy: -3.659 local terms energy: -515.749343 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -89.758 flat angles C4'-P-C4' energy: -107.962 flat angles P-C4'-P energy: -75.859 tors. eta vs tors. theta energy: -151.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1696.210278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.210278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.210278 (E_RNA) where: Base-Base interactions energy: -1186.137 where: short stacking energy: -488.704 Base-Backbone interact. energy: -2.239 local terms energy: -507.834133 where: bonds (distance) C4'-P energy: -91.249 bonds (distance) P-C4' energy: -94.918 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: -136.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1629.119523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.119523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.119523 (E_RNA) where: Base-Base interactions energy: -1156.607 where: short stacking energy: -477.768 Base-Backbone interact. energy: 0.449 local terms energy: -472.960869 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -97.902 flat angles C4'-P-C4' energy: -96.259 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: -126.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1516.048498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.048498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.048498 (E_RNA) where: Base-Base interactions energy: -1093.090 where: short stacking energy: -420.458 Base-Backbone interact. energy: -0.565 local terms energy: -422.393828 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -91.452 flat angles C4'-P-C4' energy: -95.169 flat angles P-C4'-P energy: -52.934 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: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1493.690014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.690014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.690014 (E_RNA) where: Base-Base interactions energy: -1042.589 where: short stacking energy: -454.210 Base-Backbone interact. energy: -1.699 local terms energy: -449.401884 where: bonds (distance) C4'-P energy: -81.880 bonds (distance) P-C4' energy: -82.521 flat angles C4'-P-C4' energy: -99.759 flat angles P-C4'-P energy: -65.262 tors. eta vs tors. theta energy: -119.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1343.048964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.048964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.048964 (E_RNA) where: Base-Base interactions energy: -915.784 where: short stacking energy: -407.906 Base-Backbone interact. energy: -3.083 local terms energy: -424.182296 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -78.920 flat angles C4'-P-C4' energy: -93.244 flat angles P-C4'-P energy: -68.535 tors. eta vs tors. theta energy: -107.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1180.900217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.900217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.900217 (E_RNA) where: Base-Base interactions energy: -797.148 where: short stacking energy: -361.537 Base-Backbone interact. energy: 0.068 local terms energy: -383.820302 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -87.774 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -83.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1089.322033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.322033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.322033 (E_RNA) where: Base-Base interactions energy: -726.017 where: short stacking energy: -317.125 Base-Backbone interact. energy: -1.805 local terms energy: -361.499530 where: bonds (distance) C4'-P energy: -68.994 bonds (distance) P-C4' energy: -76.527 flat angles C4'-P-C4' energy: -87.862 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -81.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -913.602616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.602616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.602616 (E_RNA) where: Base-Base interactions energy: -586.678 where: short stacking energy: -275.008 Base-Backbone interact. energy: -1.625 local terms energy: -325.299773 where: bonds (distance) C4'-P energy: -86.535 bonds (distance) P-C4' energy: -60.583 flat angles C4'-P-C4' energy: -86.191 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: -47.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -551.019424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.019424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.019424 (E_RNA) where: Base-Base interactions energy: -274.660 where: short stacking energy: -168.682 Base-Backbone interact. energy: 0.092 local terms energy: -276.451444 where: bonds (distance) C4'-P energy: -78.647 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -70.250 flat angles P-C4'-P energy: -41.425 tors. eta vs tors. theta energy: -4.241 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: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1807.383300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.383300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.383300 (E_RNA) where: Base-Base interactions energy: -1275.763 where: short stacking energy: -533.393 Base-Backbone interact. energy: -0.768 local terms energy: -530.852890 where: bonds (distance) C4'-P energy: -82.316 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -108.950 flat angles P-C4'-P energy: -80.675 tors. eta vs tors. theta energy: -156.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1693.203379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.203379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.203379 (E_RNA) where: Base-Base interactions energy: -1186.094 where: short stacking energy: -495.528 Base-Backbone interact. energy: -2.094 local terms energy: -505.015156 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -95.602 flat angles C4'-P-C4' energy: -105.183 flat angles P-C4'-P energy: -78.586 tors. eta vs tors. theta energy: -142.240 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1634.201769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.201769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.201769 (E_RNA) where: Base-Base interactions energy: -1149.199 where: short stacking energy: -472.942 Base-Backbone interact. energy: 0.099 local terms energy: -485.101836 where: bonds (distance) C4'-P energy: -80.616 bonds (distance) P-C4' energy: -96.706 flat angles C4'-P-C4' energy: -108.790 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -124.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1521.724899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.724899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.724899 (E_RNA) where: Base-Base interactions energy: -1077.597 where: short stacking energy: -425.612 Base-Backbone interact. energy: -0.575 local terms energy: -443.553666 where: bonds (distance) C4'-P energy: -77.360 bonds (distance) P-C4' energy: -97.623 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -63.684 tors. eta vs tors. theta energy: -109.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1479.086673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.086673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.086673 (E_RNA) where: Base-Base interactions energy: -1023.343 where: short stacking energy: -432.763 Base-Backbone interact. energy: 0.626 local terms energy: -456.369655 where: bonds (distance) C4'-P energy: -72.582 bonds (distance) P-C4' energy: -96.974 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -75.172 tors. eta vs tors. theta energy: -115.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1333.878208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.878208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.878208 (E_RNA) where: Base-Base interactions energy: -906.561 where: short stacking energy: -381.771 Base-Backbone interact. energy: -2.507 local terms energy: -424.810596 where: bonds (distance) C4'-P energy: -74.274 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -103.584 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -90.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1156.090537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.090537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.090537 (E_RNA) where: Base-Base interactions energy: -781.137 where: short stacking energy: -343.732 Base-Backbone interact. energy: 1.137 local terms energy: -376.090171 where: bonds (distance) C4'-P energy: -73.683 bonds (distance) P-C4' energy: -78.551 flat angles C4'-P-C4' energy: -85.410 flat angles P-C4'-P energy: -59.383 tors. eta vs tors. theta energy: -79.064 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: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1162.617009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.617009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.617009 (E_RNA) where: Base-Base interactions energy: -782.948 where: short stacking energy: -350.156 Base-Backbone interact. energy: -0.921 local terms energy: -378.747791 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -84.451 flat angles C4'-P-C4' energy: -80.000 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -91.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -845.170805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.170805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.170805 (E_RNA) where: Base-Base interactions energy: -535.568 where: short stacking energy: -258.041 Base-Backbone interact. energy: -2.280 local terms energy: -307.323274 where: bonds (distance) C4'-P energy: -81.742 bonds (distance) P-C4' energy: -76.061 flat angles C4'-P-C4' energy: -60.824 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -39.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -525.988930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.988930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.988930 (E_RNA) where: Base-Base interactions energy: -241.799 where: short stacking energy: -143.844 Base-Backbone interact. energy: -1.558 local terms energy: -282.631826 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -81.308 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: -2.471 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: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1794.118473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.118473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.118473 (E_RNA) where: Base-Base interactions energy: -1251.455 where: short stacking energy: -511.376 Base-Backbone interact. energy: -4.163 local terms energy: -538.500597 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -100.786 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -86.525 tors. eta vs tors. theta energy: -138.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1682.464856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.464856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.464856 (E_RNA) where: Base-Base interactions energy: -1172.311 where: short stacking energy: -495.892 Base-Backbone interact. energy: -3.835 local terms energy: -506.318944 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -85.261 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: -136.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1627.592254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.592254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.592254 (E_RNA) where: Base-Base interactions energy: -1146.549 where: short stacking energy: -500.774 Base-Backbone interact. energy: -0.815 local terms energy: -480.227668 where: bonds (distance) C4'-P energy: -85.592 bonds (distance) P-C4' energy: -91.636 flat angles C4'-P-C4' energy: -94.578 flat angles P-C4'-P energy: -75.311 tors. eta vs tors. theta energy: -133.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1506.613966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.613966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.613966 (E_RNA) where: Base-Base interactions energy: -1069.462 where: short stacking energy: -407.045 Base-Backbone interact. energy: -3.862 local terms energy: -433.289192 where: bonds (distance) C4'-P energy: -76.623 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -101.958 flat angles P-C4'-P energy: -61.423 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: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1504.798935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.798935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.798935 (E_RNA) where: Base-Base interactions energy: -1038.031 where: short stacking energy: -431.054 Base-Backbone interact. energy: -1.563 local terms energy: -465.204562 where: bonds (distance) C4'-P energy: -93.444 bonds (distance) P-C4' energy: -91.847 flat angles C4'-P-C4' energy: -93.493 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -118.909 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1301.597334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.597334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.597334 (E_RNA) where: Base-Base interactions energy: -888.310 where: short stacking energy: -371.750 Base-Backbone interact. energy: -1.316 local terms energy: -411.971035 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -80.861 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -65.465 tors. eta vs tors. theta energy: -95.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1171.561210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.561210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.561210 (E_RNA) where: Base-Base interactions energy: -794.885 where: short stacking energy: -368.402 Base-Backbone interact. energy: -0.540 local terms energy: -376.136063 where: bonds (distance) C4'-P energy: -80.644 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -91.281 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -83.769 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: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1140.791594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.791594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.791594 (E_RNA) where: Base-Base interactions energy: -762.056 where: short stacking energy: -347.582 Base-Backbone interact. energy: -2.046 local terms energy: -376.689448 where: bonds (distance) C4'-P energy: -74.277 bonds (distance) P-C4' energy: -74.436 flat angles C4'-P-C4' energy: -83.598 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -93.356 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: 405 Temperature: 1.300000 Total energy: -894.123811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.123811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.123811 (E_RNA) where: Base-Base interactions energy: -563.999 where: short stacking energy: -260.394 Base-Backbone interact. energy: 2.186 local terms energy: -332.310475 where: bonds (distance) C4'-P energy: -77.541 bonds (distance) P-C4' energy: -86.501 flat angles C4'-P-C4' energy: -74.747 flat angles P-C4'-P energy: -45.907 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: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -505.796140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.796140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.796140 (E_RNA) where: Base-Base interactions energy: -258.064 where: short stacking energy: -169.549 Base-Backbone interact. energy: -2.504 local terms energy: -245.227815 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -31.592 tors. eta vs tors. theta energy: 7.118 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: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1791.213342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.213342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.213342 (E_RNA) where: Base-Base interactions energy: -1274.616 where: short stacking energy: -519.484 Base-Backbone interact. energy: 2.361 local terms energy: -518.958186 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -101.812 flat angles C4'-P-C4' energy: -104.843 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -148.801 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1660.963097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.963097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.963097 (E_RNA) where: Base-Base interactions energy: -1151.940 where: short stacking energy: -480.302 Base-Backbone interact. energy: -5.331 local terms energy: -503.691974 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -84.952 flat angles C4'-P-C4' energy: -116.353 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -139.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1641.812659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.812659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.812659 (E_RNA) where: Base-Base interactions energy: -1166.336 where: short stacking energy: -482.181 Base-Backbone interact. energy: -1.557 local terms energy: -473.919570 where: bonds (distance) C4'-P energy: -87.000 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -98.805 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -131.852 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: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1509.846670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.846670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.846670 (E_RNA) where: Base-Base interactions energy: -1058.138 where: short stacking energy: -433.685 Base-Backbone interact. energy: -5.028 local terms energy: -446.681332 where: bonds (distance) C4'-P energy: -88.893 bonds (distance) P-C4' energy: -89.520 flat angles C4'-P-C4' energy: -105.029 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -99.980 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: 406 Temperature: 1.100000 Total energy: -1468.062339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.062339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.062339 (E_RNA) where: Base-Base interactions energy: -1022.322 where: short stacking energy: -430.120 Base-Backbone interact. energy: -0.684 local terms energy: -445.056883 where: bonds (distance) C4'-P energy: -80.348 bonds (distance) P-C4' energy: -84.303 flat angles C4'-P-C4' energy: -98.398 flat angles P-C4'-P energy: -67.555 tors. eta vs tors. theta energy: -114.452 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: 406 Temperature: 1.150000 Total energy: -1321.586764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.586764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.586764 (E_RNA) where: Base-Base interactions energy: -916.219 where: short stacking energy: -390.688 Base-Backbone interact. energy: -3.962 local terms energy: -401.404983 where: bonds (distance) C4'-P energy: -71.626 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -51.768 tors. eta vs tors. theta energy: -90.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1190.793661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.793661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.793661 (E_RNA) where: Base-Base interactions energy: -809.236 where: short stacking energy: -342.675 Base-Backbone interact. energy: -2.341 local terms energy: -379.217001 where: bonds (distance) C4'-P energy: -81.141 bonds (distance) P-C4' energy: -63.457 flat angles C4'-P-C4' energy: -90.008 flat angles P-C4'-P energy: -61.589 tors. eta vs tors. theta energy: -83.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1197.905926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.905926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.905926 (E_RNA) where: Base-Base interactions energy: -788.891 where: short stacking energy: -374.483 Base-Backbone interact. energy: -2.151 local terms energy: -406.863885 where: bonds (distance) C4'-P energy: -82.629 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -93.354 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -101.491 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: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -894.350697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.350697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.350697 (E_RNA) where: Base-Base interactions energy: -565.564 where: short stacking energy: -256.657 Base-Backbone interact. energy: 3.106 local terms energy: -331.892736 where: bonds (distance) C4'-P energy: -60.197 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -56.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -491.532059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.532059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.532059 (E_RNA) where: Base-Base interactions energy: -229.666 where: short stacking energy: -125.586 Base-Backbone interact. energy: 2.253 local terms energy: -264.119025 where: bonds (distance) C4'-P energy: -79.029 bonds (distance) P-C4' energy: -75.150 flat angles C4'-P-C4' energy: -70.811 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1786.517392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.517392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.517392 (E_RNA) where: Base-Base interactions energy: -1272.876 where: short stacking energy: -529.073 Base-Backbone interact. energy: -0.197 local terms energy: -513.444135 where: bonds (distance) C4'-P energy: -92.188 bonds (distance) P-C4' energy: -94.390 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -73.273 tors. eta vs tors. theta energy: -149.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1675.328288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.328288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.328288 (E_RNA) where: Base-Base interactions energy: -1182.419 where: short stacking energy: -489.457 Base-Backbone interact. energy: -2.981 local terms energy: -489.928069 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -86.552 flat angles C4'-P-C4' energy: -105.233 flat angles P-C4'-P energy: -75.173 tors. eta vs tors. theta energy: -129.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1667.949621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.949621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.949621 (E_RNA) where: Base-Base interactions energy: -1166.786 where: short stacking energy: -482.241 Base-Backbone interact. energy: -3.949 local terms energy: -497.215219 where: bonds (distance) C4'-P energy: -103.018 bonds (distance) P-C4' energy: -94.406 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -137.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1486.765479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.765479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.765479 (E_RNA) where: Base-Base interactions energy: -1066.984 where: short stacking energy: -406.805 Base-Backbone interact. energy: 0.710 local terms energy: -420.491726 where: bonds (distance) C4'-P energy: -76.613 bonds (distance) P-C4' energy: -91.279 flat angles C4'-P-C4' energy: -99.896 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -85.650 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: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1457.518853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.518853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.518853 (E_RNA) where: Base-Base interactions energy: -1019.540 where: short stacking energy: -434.018 Base-Backbone interact. energy: 2.123 local terms energy: -440.101215 where: bonds (distance) C4'-P energy: -71.189 bonds (distance) P-C4' energy: -85.732 flat angles C4'-P-C4' energy: -92.889 flat angles P-C4'-P energy: -58.543 tors. eta vs tors. theta energy: -131.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1343.846552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.846552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.846552 (E_RNA) where: Base-Base interactions energy: -926.409 where: short stacking energy: -387.835 Base-Backbone interact. energy: -5.089 local terms energy: -412.348848 where: bonds (distance) C4'-P energy: -84.491 bonds (distance) P-C4' energy: -92.029 flat angles C4'-P-C4' energy: -75.761 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -100.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1163.644259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.644259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.644259 (E_RNA) where: Base-Base interactions energy: -780.486 where: short stacking energy: -370.910 Base-Backbone interact. energy: -0.486 local terms energy: -382.671957 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -89.605 flat angles P-C4'-P energy: -55.989 tors. eta vs tors. theta energy: -88.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1123.181881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.181881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.181881 (E_RNA) where: Base-Base interactions energy: -764.023 where: short stacking energy: -333.032 Base-Backbone interact. energy: -1.122 local terms energy: -358.037178 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -91.316 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -75.563 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: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -958.366452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.366452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.366452 (E_RNA) where: Base-Base interactions energy: -617.497 where: short stacking energy: -271.157 Base-Backbone interact. energy: 2.771 local terms energy: -343.640488 where: bonds (distance) C4'-P energy: -70.934 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -79.499 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -47.637 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: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -555.358074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.358074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.358074 (E_RNA) where: Base-Base interactions energy: -284.720 where: short stacking energy: -159.992 Base-Backbone interact. energy: 3.490 local terms energy: -274.128043 where: bonds (distance) C4'-P energy: -73.029 bonds (distance) P-C4' energy: -81.036 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -41.401 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1799.222885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.222885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.222885 (E_RNA) where: Base-Base interactions energy: -1273.238 where: short stacking energy: -501.771 Base-Backbone interact. energy: 0.912 local terms energy: -526.897216 where: bonds (distance) C4'-P energy: -100.480 bonds (distance) P-C4' energy: -95.890 flat angles C4'-P-C4' energy: -103.687 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -146.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1654.649288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.649288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.649288 (E_RNA) where: Base-Base interactions energy: -1162.661 where: short stacking energy: -477.223 Base-Backbone interact. energy: -2.559 local terms energy: -489.430036 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -84.278 flat angles C4'-P-C4' energy: -98.363 flat angles P-C4'-P energy: -78.230 tors. eta vs tors. theta energy: -137.279 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1632.844584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.844584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.844584 (E_RNA) where: Base-Base interactions energy: -1150.257 where: short stacking energy: -479.696 Base-Backbone interact. energy: -3.178 local terms energy: -479.409676 where: bonds (distance) C4'-P energy: -81.313 bonds (distance) P-C4' energy: -92.291 flat angles C4'-P-C4' energy: -108.520 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -135.238 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: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1513.135313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.135313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.135313 (E_RNA) where: Base-Base interactions energy: -1095.631 where: short stacking energy: -419.274 Base-Backbone interact. energy: 6.259 local terms energy: -423.763566 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -78.144 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -64.534 tors. eta vs tors. theta energy: -105.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1478.914700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.914700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.914700 (E_RNA) where: Base-Base interactions energy: -1031.404 where: short stacking energy: -446.709 Base-Backbone interact. energy: -0.155 local terms energy: -447.355775 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -102.614 flat angles P-C4'-P energy: -54.849 tors. eta vs tors. theta energy: -115.301 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: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1351.947131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.947131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.947131 (E_RNA) where: Base-Base interactions energy: -959.592 where: short stacking energy: -387.538 Base-Backbone interact. energy: -1.749 local terms energy: -390.606594 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -83.833 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -51.541 tors. eta vs tors. theta energy: -80.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1217.675100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.675100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.675100 (E_RNA) where: Base-Base interactions energy: -813.058 where: short stacking energy: -368.109 Base-Backbone interact. energy: -1.091 local terms energy: -403.526896 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -76.547 flat angles C4'-P-C4' energy: -98.902 flat angles P-C4'-P energy: -62.214 tors. eta vs tors. theta energy: -83.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1144.798380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.798380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.798380 (E_RNA) where: Base-Base interactions energy: -740.095 where: short stacking energy: -329.022 Base-Backbone interact. energy: -1.544 local terms energy: -403.159269 where: bonds (distance) C4'-P energy: -81.769 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -95.869 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -88.036 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: 1 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -970.739521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.739521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.739521 (E_RNA) where: Base-Base interactions energy: -673.295 where: short stacking energy: -306.823 Base-Backbone interact. energy: -0.067 local terms energy: -297.378239 where: bonds (distance) C4'-P energy: -50.407 bonds (distance) P-C4' energy: -86.824 flat angles C4'-P-C4' energy: -61.605 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -57.343 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: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -550.420972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.420972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.420972 (E_RNA) where: Base-Base interactions energy: -288.191 where: short stacking energy: -157.512 Base-Backbone interact. energy: -0.636 local terms energy: -261.593688 where: bonds (distance) C4'-P energy: -72.941 bonds (distance) P-C4' energy: -82.124 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -43.553 tors. eta vs tors. theta energy: 1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1769.253505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.253505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.253505 (E_RNA) where: Base-Base interactions energy: -1241.355 where: short stacking energy: -514.276 Base-Backbone interact. energy: -0.781 local terms energy: -527.116765 where: bonds (distance) C4'-P energy: -92.212 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -114.977 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -153.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1674.679565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.679565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.679565 (E_RNA) where: Base-Base interactions energy: -1171.168 where: short stacking energy: -480.476 Base-Backbone interact. energy: -2.865 local terms energy: -500.646716 where: bonds (distance) C4'-P energy: -96.691 bonds (distance) P-C4' energy: -103.334 flat angles C4'-P-C4' energy: -103.112 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -133.515 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: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1659.754890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.754890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.754890 (E_RNA) where: Base-Base interactions energy: -1175.887 where: short stacking energy: -504.719 Base-Backbone interact. energy: -1.584 local terms energy: -482.283988 where: bonds (distance) C4'-P energy: -83.710 bonds (distance) P-C4' energy: -71.518 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -142.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1510.761687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.761687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.761687 (E_RNA) where: Base-Base interactions energy: -1051.105 where: short stacking energy: -417.453 Base-Backbone interact. energy: -4.739 local terms energy: -454.917769 where: bonds (distance) C4'-P energy: -99.478 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -102.183 flat angles P-C4'-P energy: -60.445 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: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1438.522421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.522421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.522421 (E_RNA) where: Base-Base interactions energy: -972.236 where: short stacking energy: -406.259 Base-Backbone interact. energy: -2.192 local terms energy: -464.094006 where: bonds (distance) C4'-P energy: -89.169 bonds (distance) P-C4' energy: -94.688 flat angles C4'-P-C4' energy: -97.798 flat angles P-C4'-P energy: -80.837 tors. eta vs tors. theta energy: -101.602 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: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1304.832564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.832564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.832564 (E_RNA) where: Base-Base interactions energy: -906.021 where: short stacking energy: -373.243 Base-Backbone interact. energy: 0.556 local terms energy: -399.367593 where: bonds (distance) C4'-P energy: -77.130 bonds (distance) P-C4' energy: -96.242 flat angles C4'-P-C4' energy: -86.964 flat angles P-C4'-P energy: -54.763 tors. eta vs tors. theta energy: -84.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1176.323478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.323478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.323478 (E_RNA) where: Base-Base interactions energy: -802.732 where: short stacking energy: -349.157 Base-Backbone interact. energy: -1.597 local terms energy: -371.994515 where: bonds (distance) C4'-P energy: -74.638 bonds (distance) P-C4' energy: -67.586 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -83.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1112.143170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.143170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.143170 (E_RNA) where: Base-Base interactions energy: -752.681 where: short stacking energy: -329.432 Base-Backbone interact. energy: -2.346 local terms energy: -357.116163 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -76.063 flat angles C4'-P-C4' energy: -74.494 flat angles P-C4'-P energy: -53.287 tors. eta vs tors. theta energy: -79.974 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: 409 Temperature: 1.300000 Total energy: -957.287847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.287847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.287847 (E_RNA) where: Base-Base interactions energy: -607.847 where: short stacking energy: -250.077 Base-Backbone interact. energy: 0.346 local terms energy: -349.786823 where: bonds (distance) C4'-P energy: -82.427 bonds (distance) P-C4' energy: -85.012 flat angles C4'-P-C4' energy: -75.155 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -48.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -527.791665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.791665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.791665 (E_RNA) where: Base-Base interactions energy: -271.719 where: short stacking energy: -157.197 Base-Backbone interact. energy: 2.111 local terms energy: -258.184038 where: bonds (distance) C4'-P energy: -81.772 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -63.734 flat angles P-C4'-P energy: -31.471 tors. eta vs tors. theta energy: -5.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1766.579023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.579023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.579023 (E_RNA) where: Base-Base interactions energy: -1253.155 where: short stacking energy: -517.347 Base-Backbone interact. energy: 0.225 local terms energy: -513.648428 where: bonds (distance) C4'-P energy: -90.014 bonds (distance) P-C4' energy: -84.250 flat angles C4'-P-C4' energy: -110.341 flat angles P-C4'-P energy: -78.774 tors. eta vs tors. theta energy: -150.269 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: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1677.060515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.060515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.060515 (E_RNA) where: Base-Base interactions energy: -1179.927 where: short stacking energy: -487.948 Base-Backbone interact. energy: -4.503 local terms energy: -492.630826 where: bonds (distance) C4'-P energy: -93.417 bonds (distance) P-C4' energy: -87.591 flat angles C4'-P-C4' energy: -107.215 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: -131.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1668.474679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.474679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.474679 (E_RNA) where: Base-Base interactions energy: -1179.203 where: short stacking energy: -504.337 Base-Backbone interact. energy: -4.172 local terms energy: -485.099845 where: bonds (distance) C4'-P energy: -89.845 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -108.195 flat angles P-C4'-P energy: -54.890 tors. eta vs tors. theta energy: -139.183 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: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1453.259591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.259591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.259591 (E_RNA) where: Base-Base interactions energy: -1009.811 where: short stacking energy: -395.980 Base-Backbone interact. energy: -2.568 local terms energy: -440.880789 where: bonds (distance) C4'-P energy: -89.960 bonds (distance) P-C4' energy: -95.872 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -58.373 tors. eta vs tors. theta energy: -105.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1467.599096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.599096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.599096 (E_RNA) where: Base-Base interactions energy: -1041.359 where: short stacking energy: -434.637 Base-Backbone interact. energy: -3.435 local terms energy: -422.804935 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -74.160 flat angles C4'-P-C4' energy: -99.498 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -115.253 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: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1347.179778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.179778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.179778 (E_RNA) where: Base-Base interactions energy: -912.257 where: short stacking energy: -401.419 Base-Backbone interact. energy: -2.270 local terms energy: -432.652413 where: bonds (distance) C4'-P energy: -81.481 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -103.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1181.108693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.108693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.108693 (E_RNA) where: Base-Base interactions energy: -796.790 where: short stacking energy: -348.434 Base-Backbone interact. energy: 0.751 local terms energy: -385.070032 where: bonds (distance) C4'-P energy: -73.993 bonds (distance) P-C4' energy: -88.373 flat angles C4'-P-C4' energy: -94.485 flat angles P-C4'-P energy: -49.657 tors. eta vs tors. theta energy: -78.562 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: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1118.288468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.288468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.288468 (E_RNA) where: Base-Base interactions energy: -775.447 where: short stacking energy: -343.712 Base-Backbone interact. energy: 1.968 local terms energy: -344.808906 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -71.351 flat angles C4'-P-C4' energy: -79.779 flat angles P-C4'-P energy: -38.919 tors. eta vs tors. theta energy: -70.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -972.911288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.911288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.911288 (E_RNA) where: Base-Base interactions energy: -614.605 where: short stacking energy: -289.495 Base-Backbone interact. energy: 5.012 local terms energy: -363.318107 where: bonds (distance) C4'-P energy: -82.333 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -87.394 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -58.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -518.839397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.839397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.839397 (E_RNA) where: Base-Base interactions energy: -251.178 where: short stacking energy: -167.071 Base-Backbone interact. energy: -3.075 local terms energy: -264.586183 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -60.347 flat angles C4'-P-C4' energy: -83.415 flat angles P-C4'-P energy: -39.347 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1780.360029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.360029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.360029 (E_RNA) where: Base-Base interactions energy: -1268.398 where: short stacking energy: -504.816 Base-Backbone interact. energy: -1.476 local terms energy: -510.486932 where: bonds (distance) C4'-P energy: -94.982 bonds (distance) P-C4' energy: -97.638 flat angles C4'-P-C4' energy: -102.662 flat angles P-C4'-P energy: -72.645 tors. eta vs tors. theta energy: -142.559 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: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1664.636491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.636491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.636491 (E_RNA) where: Base-Base interactions energy: -1190.584 where: short stacking energy: -504.452 Base-Backbone interact. energy: 1.753 local terms energy: -475.805320 where: bonds (distance) C4'-P energy: -86.958 bonds (distance) P-C4' energy: -86.431 flat angles C4'-P-C4' energy: -103.191 flat angles P-C4'-P energy: -67.507 tors. eta vs tors. theta energy: -131.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1687.464989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.464989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.464989 (E_RNA) where: Base-Base interactions energy: -1192.343 where: short stacking energy: -505.544 Base-Backbone interact. energy: -4.511 local terms energy: -490.611067 where: bonds (distance) C4'-P energy: -85.008 bonds (distance) P-C4' energy: -81.506 flat angles C4'-P-C4' energy: -96.903 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -148.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1484.407488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.407488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.407488 (E_RNA) where: Base-Base interactions energy: -1028.741 where: short stacking energy: -436.280 Base-Backbone interact. energy: 1.834 local terms energy: -457.500682 where: bonds (distance) C4'-P energy: -74.955 bonds (distance) P-C4' energy: -84.912 flat angles C4'-P-C4' energy: -101.193 flat angles P-C4'-P energy: -69.238 tors. eta vs tors. theta energy: -127.202 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: 411 Temperature: 1.100000 Total energy: -1440.606030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.606030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.606030 (E_RNA) where: Base-Base interactions energy: -993.902 where: short stacking energy: -399.196 Base-Backbone interact. energy: -3.711 local terms energy: -442.992571 where: bonds (distance) C4'-P energy: -88.186 bonds (distance) P-C4' energy: -88.086 flat angles C4'-P-C4' energy: -97.424 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -96.435 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: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1323.873641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.873641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.873641 (E_RNA) where: Base-Base interactions energy: -879.900 where: short stacking energy: -383.658 Base-Backbone interact. energy: -1.741 local terms energy: -442.232871 where: bonds (distance) C4'-P energy: -89.703 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -82.191 flat angles P-C4'-P energy: -71.596 tors. eta vs tors. theta energy: -97.879 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: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1180.715268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.715268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.715268 (E_RNA) where: Base-Base interactions energy: -816.179 where: short stacking energy: -362.075 Base-Backbone interact. energy: -0.574 local terms energy: -363.961838 where: bonds (distance) C4'-P energy: -70.756 bonds (distance) P-C4' energy: -83.380 flat angles C4'-P-C4' energy: -75.124 flat angles P-C4'-P energy: -49.686 tors. eta vs tors. theta energy: -85.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1132.210243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.210243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.210243 (E_RNA) where: Base-Base interactions energy: -754.172 where: short stacking energy: -322.704 Base-Backbone interact. energy: -1.180 local terms energy: -376.857774 where: bonds (distance) C4'-P energy: -72.325 bonds (distance) P-C4' energy: -85.462 flat angles C4'-P-C4' energy: -88.846 flat angles P-C4'-P energy: -56.067 tors. eta vs tors. theta energy: -74.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1002.467034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.467034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.467034 (E_RNA) where: Base-Base interactions energy: -668.583 where: short stacking energy: -293.343 Base-Backbone interact. energy: -2.798 local terms energy: -331.085734 where: bonds (distance) C4'-P energy: -78.434 bonds (distance) P-C4' energy: -71.818 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: -54.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -517.240740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.240740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.240740 (E_RNA) where: Base-Base interactions energy: -243.412 where: short stacking energy: -151.131 Base-Backbone interact. energy: -1.550 local terms energy: -272.278611 where: bonds (distance) C4'-P energy: -71.256 bonds (distance) P-C4' energy: -88.909 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -33.479 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: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1779.062402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.062402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.062402 (E_RNA) where: Base-Base interactions energy: -1252.835 where: short stacking energy: -516.446 Base-Backbone interact. energy: -3.204 local terms energy: -523.023238 where: bonds (distance) C4'-P energy: -95.850 bonds (distance) P-C4' energy: -89.954 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -86.665 tors. eta vs tors. theta energy: -145.945 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: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1673.230892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.230892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.230892 (E_RNA) where: Base-Base interactions energy: -1179.292 where: short stacking energy: -489.255 Base-Backbone interact. energy: -2.854 local terms energy: -491.085084 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -102.737 flat angles C4'-P-C4' energy: -105.496 flat angles P-C4'-P energy: -65.247 tors. eta vs tors. theta energy: -123.721 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: 412 Temperature: 1.000000 Total energy: -1640.143300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.143300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.143300 (E_RNA) where: Base-Base interactions energy: -1118.618 where: short stacking energy: -472.928 Base-Backbone interact. energy: -4.884 local terms energy: -516.641850 where: bonds (distance) C4'-P energy: -104.409 bonds (distance) P-C4' energy: -98.086 flat angles C4'-P-C4' energy: -97.649 flat angles P-C4'-P energy: -80.159 tors. eta vs tors. theta energy: -136.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1515.535718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.535718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.535718 (E_RNA) where: Base-Base interactions energy: -1048.299 where: short stacking energy: -413.528 Base-Backbone interact. energy: -1.896 local terms energy: -465.340707 where: bonds (distance) C4'-P energy: -97.799 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -91.055 flat angles P-C4'-P energy: -73.847 tors. eta vs tors. theta energy: -115.811 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1435.302185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.302185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.302185 (E_RNA) where: Base-Base interactions energy: -1033.508 where: short stacking energy: -401.803 Base-Backbone interact. energy: 3.131 local terms energy: -404.924987 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -92.817 flat angles P-C4'-P energy: -54.872 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1298.760274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.760274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.760274 (E_RNA) where: Base-Base interactions energy: -880.973 where: short stacking energy: -371.263 Base-Backbone interact. energy: -0.899 local terms energy: -416.887907 where: bonds (distance) C4'-P energy: -74.988 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -94.967 flat angles P-C4'-P energy: -57.724 tors. eta vs tors. theta energy: -96.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1205.549728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.549728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.549728 (E_RNA) where: Base-Base interactions energy: -800.158 where: short stacking energy: -360.940 Base-Backbone interact. energy: 0.790 local terms energy: -406.181912 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -80.923 flat angles C4'-P-C4' energy: -96.044 flat angles P-C4'-P energy: -62.031 tors. eta vs tors. theta energy: -99.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1144.416429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.416429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.416429 (E_RNA) where: Base-Base interactions energy: -759.548 where: short stacking energy: -337.150 Base-Backbone interact. energy: -0.117 local terms energy: -384.752017 where: bonds (distance) C4'-P energy: -85.709 bonds (distance) P-C4' energy: -85.326 flat angles C4'-P-C4' energy: -70.361 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -89.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -986.957065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.957065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.957065 (E_RNA) where: Base-Base interactions energy: -629.825 where: short stacking energy: -268.901 Base-Backbone interact. energy: 2.727 local terms energy: -359.858544 where: bonds (distance) C4'-P energy: -77.618 bonds (distance) P-C4' energy: -79.336 flat angles C4'-P-C4' energy: -86.427 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -58.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -560.734197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.734197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.734197 (E_RNA) where: Base-Base interactions energy: -297.632 where: short stacking energy: -169.004 Base-Backbone interact. energy: 1.607 local terms energy: -264.708625 where: bonds (distance) C4'-P energy: -77.268 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -53.381 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -6.837 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1776.777295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.777295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.777295 (E_RNA) where: Base-Base interactions energy: -1256.599 where: short stacking energy: -492.099 Base-Backbone interact. energy: -6.209 local terms energy: -513.968749 where: bonds (distance) C4'-P energy: -98.185 bonds (distance) P-C4' energy: -91.670 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -80.242 tors. eta vs tors. theta energy: -140.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1681.207577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.207577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.207577 (E_RNA) where: Base-Base interactions energy: -1191.990 where: short stacking energy: -479.098 Base-Backbone interact. energy: -1.353 local terms energy: -487.864930 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -96.265 flat angles C4'-P-C4' energy: -102.095 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -134.542 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: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1659.314168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.314168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.314168 (E_RNA) where: Base-Base interactions energy: -1174.471 where: short stacking energy: -473.769 Base-Backbone interact. energy: 2.956 local terms energy: -487.799105 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -77.788 tors. eta vs tors. theta energy: -135.079 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: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1509.112285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.112285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.112285 (E_RNA) where: Base-Base interactions energy: -1072.273 where: short stacking energy: -450.002 Base-Backbone interact. energy: 0.849 local terms energy: -437.688770 where: bonds (distance) C4'-P energy: -89.420 bonds (distance) P-C4' energy: -80.984 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: -115.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1425.472990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.472990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.472990 (E_RNA) where: Base-Base interactions energy: -1006.151 where: short stacking energy: -415.810 Base-Backbone interact. energy: -0.101 local terms energy: -419.221120 where: bonds (distance) C4'-P energy: -79.172 bonds (distance) P-C4' energy: -82.340 flat angles C4'-P-C4' energy: -99.349 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: -102.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1316.498156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.498156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.498156 (E_RNA) where: Base-Base interactions energy: -889.501 where: short stacking energy: -353.332 Base-Backbone interact. energy: -1.544 local terms energy: -425.453322 where: bonds (distance) C4'-P energy: -80.943 bonds (distance) P-C4' energy: -90.151 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -69.331 tors. eta vs tors. theta energy: -86.761 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: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1214.871216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.871216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.871216 (E_RNA) where: Base-Base interactions energy: -799.839 where: short stacking energy: -357.125 Base-Backbone interact. energy: 1.302 local terms energy: -416.334621 where: bonds (distance) C4'-P energy: -86.945 bonds (distance) P-C4' energy: -97.004 flat angles C4'-P-C4' energy: -81.572 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -89.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1165.894265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.894265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.894265 (E_RNA) where: Base-Base interactions energy: -806.003 where: short stacking energy: -337.954 Base-Backbone interact. energy: 1.295 local terms energy: -361.186099 where: bonds (distance) C4'-P energy: -72.133 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -72.691 flat angles P-C4'-P energy: -53.609 tors. eta vs tors. theta energy: -79.154 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: 413 Temperature: 1.300000 Total energy: -998.759960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.759960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.759960 (E_RNA) where: Base-Base interactions energy: -657.314 where: short stacking energy: -286.985 Base-Backbone interact. energy: -2.048 local terms energy: -339.398026 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -73.782 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -58.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -555.444330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.444330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.444330 (E_RNA) where: Base-Base interactions energy: -275.068 where: short stacking energy: -138.533 Base-Backbone interact. energy: -2.482 local terms energy: -277.894742 where: bonds (distance) C4'-P energy: -90.225 bonds (distance) P-C4' energy: -71.698 flat angles C4'-P-C4' energy: -58.782 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1775.145212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.145212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.145212 (E_RNA) where: Base-Base interactions energy: -1238.995 where: short stacking energy: -521.297 Base-Backbone interact. energy: -1.749 local terms energy: -534.401383 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -100.431 flat angles C4'-P-C4' energy: -114.485 flat angles P-C4'-P energy: -81.730 tors. eta vs tors. theta energy: -146.882 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: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1692.802773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.802773 (E_RNA) where: Base-Base interactions energy: -1200.734 where: short stacking energy: -485.549 Base-Backbone interact. energy: -0.330 local terms energy: -491.738266 where: bonds (distance) C4'-P energy: -95.711 bonds (distance) P-C4' energy: -92.639 flat angles C4'-P-C4' energy: -97.861 flat angles P-C4'-P energy: -77.687 tors. eta vs tors. theta energy: -127.841 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: 414 Temperature: 1.000000 Total energy: -1643.400113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.400113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.400113 (E_RNA) where: Base-Base interactions energy: -1141.055 where: short stacking energy: -481.588 Base-Backbone interact. energy: 2.497 local terms energy: -504.841722 where: bonds (distance) C4'-P energy: -93.796 bonds (distance) P-C4' energy: -86.784 flat angles C4'-P-C4' energy: -103.435 flat angles P-C4'-P energy: -77.324 tors. eta vs tors. theta energy: -143.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1496.430786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.430786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.430786 (E_RNA) where: Base-Base interactions energy: -1040.261 where: short stacking energy: -429.724 Base-Backbone interact. energy: -1.158 local terms energy: -455.011388 where: bonds (distance) C4'-P energy: -101.631 bonds (distance) P-C4' energy: -77.787 flat angles C4'-P-C4' energy: -91.765 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: -117.551 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: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1432.006386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.006386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.006386 (E_RNA) where: Base-Base interactions energy: -999.806 where: short stacking energy: -400.061 Base-Backbone interact. energy: -1.043 local terms energy: -431.157393 where: bonds (distance) C4'-P energy: -78.540 bonds (distance) P-C4' energy: -92.172 flat angles C4'-P-C4' energy: -86.069 flat angles P-C4'-P energy: -66.820 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: 414 Temperature: 1.150000 Total energy: -1359.257503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.257503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.257503 (E_RNA) where: Base-Base interactions energy: -921.990 where: short stacking energy: -407.331 Base-Backbone interact. energy: -1.886 local terms energy: -435.382095 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -87.823 flat angles C4'-P-C4' energy: -94.516 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -111.706 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: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1206.175187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.175187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.175187 (E_RNA) where: Base-Base interactions energy: -827.639 where: short stacking energy: -358.842 Base-Backbone interact. energy: -3.607 local terms energy: -374.929241 where: bonds (distance) C4'-P energy: -70.294 bonds (distance) P-C4' energy: -81.741 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -89.862 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: 414 Temperature: 1.250000 Total energy: -1145.449083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.449083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.449083 (E_RNA) where: Base-Base interactions energy: -751.024 where: short stacking energy: -338.773 Base-Backbone interact. energy: -0.147 local terms energy: -394.278351 where: bonds (distance) C4'-P energy: -79.992 bonds (distance) P-C4' energy: -90.179 flat angles C4'-P-C4' energy: -83.473 flat angles P-C4'-P energy: -57.920 tors. eta vs tors. theta energy: -82.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -981.443273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.443273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.443273 (E_RNA) where: Base-Base interactions energy: -642.131 where: short stacking energy: -271.821 Base-Backbone interact. energy: -0.770 local terms energy: -338.542558 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -72.683 flat angles C4'-P-C4' energy: -86.500 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -40.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -597.744529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.744529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.744529 (E_RNA) where: Base-Base interactions energy: -350.624 where: short stacking energy: -201.865 Base-Backbone interact. energy: 2.872 local terms energy: -249.992589 where: bonds (distance) C4'-P energy: -60.737 bonds (distance) P-C4' energy: -73.318 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -34.653 tors. eta vs tors. theta energy: -7.907 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: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1764.263663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.263663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.263663 (E_RNA) where: Base-Base interactions energy: -1238.778 where: short stacking energy: -511.626 Base-Backbone interact. energy: -2.581 local terms energy: -522.905402 where: bonds (distance) C4'-P energy: -94.277 bonds (distance) P-C4' energy: -95.755 flat angles C4'-P-C4' energy: -113.231 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -141.039 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: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1660.546162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.546162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.546162 (E_RNA) where: Base-Base interactions energy: -1158.217 where: short stacking energy: -492.879 Base-Backbone interact. energy: -3.689 local terms energy: -498.639824 where: bonds (distance) C4'-P energy: -104.764 bonds (distance) P-C4' energy: -84.048 flat angles C4'-P-C4' energy: -111.621 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -130.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1633.328965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.328965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.328965 (E_RNA) where: Base-Base interactions energy: -1146.317 where: short stacking energy: -484.759 Base-Backbone interact. energy: -2.610 local terms energy: -484.401275 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -106.971 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -133.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1493.138557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.138557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.138557 (E_RNA) where: Base-Base interactions energy: -1057.981 where: short stacking energy: -453.080 Base-Backbone interact. energy: -1.691 local terms energy: -433.465793 where: bonds (distance) C4'-P energy: -77.281 bonds (distance) P-C4' energy: -84.512 flat angles C4'-P-C4' energy: -93.837 flat angles P-C4'-P energy: -60.578 tors. eta vs tors. theta energy: -117.258 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1424.477440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.477440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.477440 (E_RNA) where: Base-Base interactions energy: -992.216 where: short stacking energy: -420.392 Base-Backbone interact. energy: -1.441 local terms energy: -430.820196 where: bonds (distance) C4'-P energy: -79.494 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -94.897 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -107.756 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: 415 Temperature: 1.150000 Total energy: -1324.220944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.220944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.220944 (E_RNA) where: Base-Base interactions energy: -911.240 where: short stacking energy: -406.222 Base-Backbone interact. energy: 0.071 local terms energy: -413.051883 where: bonds (distance) C4'-P energy: -69.096 bonds (distance) P-C4' energy: -86.394 flat angles C4'-P-C4' energy: -84.080 flat angles P-C4'-P energy: -71.664 tors. eta vs tors. theta energy: -101.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1227.332673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.332673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.332673 (E_RNA) where: Base-Base interactions energy: -835.483 where: short stacking energy: -351.456 Base-Backbone interact. energy: -2.492 local terms energy: -389.357582 where: bonds (distance) C4'-P energy: -77.583 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -95.177 flat angles P-C4'-P energy: -61.133 tors. eta vs tors. theta energy: -92.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1169.905389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.905389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.905389 (E_RNA) where: Base-Base interactions energy: -807.593 where: short stacking energy: -344.982 Base-Backbone interact. energy: -2.434 local terms energy: -359.878466 where: bonds (distance) C4'-P energy: -64.068 bonds (distance) P-C4' energy: -83.530 flat angles C4'-P-C4' energy: -82.767 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -75.633 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: 415 Temperature: 1.300000 Total energy: -957.885153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.885153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.885153 (E_RNA) where: Base-Base interactions energy: -612.535 where: short stacking energy: -250.761 Base-Backbone interact. energy: -1.941 local terms energy: -343.409124 where: bonds (distance) C4'-P energy: -83.610 bonds (distance) P-C4' energy: -85.661 flat angles C4'-P-C4' energy: -84.244 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -50.104 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: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -562.119907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.119907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.119907 (E_RNA) where: Base-Base interactions energy: -297.207 where: short stacking energy: -160.915 Base-Backbone interact. energy: -0.438 local terms energy: -264.474860 where: bonds (distance) C4'-P energy: -87.046 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -30.675 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1781.645165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.645165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.645165 (E_RNA) where: Base-Base interactions energy: -1262.648 where: short stacking energy: -535.198 Base-Backbone interact. energy: -2.108 local terms energy: -516.889060 where: bonds (distance) C4'-P energy: -93.475 bonds (distance) P-C4' energy: -97.811 flat angles C4'-P-C4' energy: -113.682 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -134.745 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: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1667.201485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.201485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.201485 (E_RNA) where: Base-Base interactions energy: -1181.973 where: short stacking energy: -477.672 Base-Backbone interact. energy: 0.759 local terms energy: -485.987006 where: bonds (distance) C4'-P energy: -83.798 bonds (distance) P-C4' energy: -97.931 flat angles C4'-P-C4' energy: -102.038 flat angles P-C4'-P energy: -62.965 tors. eta vs tors. theta energy: -139.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1640.952021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.952021 (E_RNA) where: Base-Base interactions energy: -1164.130 where: short stacking energy: -511.235 Base-Backbone interact. energy: -4.354 local terms energy: -472.468051 where: bonds (distance) C4'-P energy: -73.186 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -61.176 tors. eta vs tors. theta energy: -147.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1491.595536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.595536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.595536 (E_RNA) where: Base-Base interactions energy: -1021.921 where: short stacking energy: -430.408 Base-Backbone interact. energy: -1.919 local terms energy: -467.755795 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -90.211 flat angles C4'-P-C4' energy: -101.407 flat angles P-C4'-P energy: -68.165 tors. eta vs tors. theta energy: -113.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1468.767229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.767229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.767229 (E_RNA) where: Base-Base interactions energy: -1041.217 where: short stacking energy: -423.862 Base-Backbone interact. energy: -1.412 local terms energy: -426.138070 where: bonds (distance) C4'-P energy: -79.871 bonds (distance) P-C4' energy: -75.885 flat angles C4'-P-C4' energy: -100.451 flat angles P-C4'-P energy: -57.690 tors. eta vs tors. theta energy: -112.242 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: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1335.168704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.168704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.168704 (E_RNA) where: Base-Base interactions energy: -912.520 where: short stacking energy: -390.734 Base-Backbone interact. energy: -1.831 local terms energy: -420.817785 where: bonds (distance) C4'-P energy: -88.905 bonds (distance) P-C4' energy: -84.817 flat angles C4'-P-C4' energy: -91.613 flat angles P-C4'-P energy: -65.631 tors. eta vs tors. theta energy: -89.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1229.449054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.449054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.449054 (E_RNA) where: Base-Base interactions energy: -835.090 where: short stacking energy: -379.773 Base-Backbone interact. energy: -2.008 local terms energy: -392.351200 where: bonds (distance) C4'-P energy: -68.406 bonds (distance) P-C4' energy: -90.666 flat angles C4'-P-C4' energy: -91.011 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -86.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1105.605335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.605335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.605335 (E_RNA) where: Base-Base interactions energy: -732.675 where: short stacking energy: -318.919 Base-Backbone interact. energy: -3.207 local terms energy: -369.723623 where: bonds (distance) C4'-P energy: -73.651 bonds (distance) P-C4' energy: -78.767 flat angles C4'-P-C4' energy: -86.856 flat angles P-C4'-P energy: -50.078 tors. eta vs tors. theta energy: -80.372 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: 416 Temperature: 1.300000 Total energy: -932.864863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.864863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.864863 (E_RNA) where: Base-Base interactions energy: -591.944 where: short stacking energy: -249.293 Base-Backbone interact. energy: 2.975 local terms energy: -343.896593 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -84.335 flat angles C4'-P-C4' energy: -81.658 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -41.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -555.582596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.582596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.582596 (E_RNA) where: Base-Base interactions energy: -308.844 where: short stacking energy: -158.560 Base-Backbone interact. energy: -0.515 local terms energy: -246.222864 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -65.207 flat angles P-C4'-P energy: -24.303 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: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1797.636426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.636426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.636426 (E_RNA) where: Base-Base interactions energy: -1270.778 where: short stacking energy: -518.435 Base-Backbone interact. energy: -1.607 local terms energy: -525.251611 where: bonds (distance) C4'-P energy: -95.596 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -115.520 flat angles P-C4'-P energy: -76.403 tors. eta vs tors. theta energy: -142.420 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: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1677.994044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.994044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.994044 (E_RNA) where: Base-Base interactions energy: -1170.578 where: short stacking energy: -502.912 Base-Backbone interact. energy: -0.418 local terms energy: -506.997523 where: bonds (distance) C4'-P energy: -73.427 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -118.122 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -150.001 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: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1640.820744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.820744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.820744 (E_RNA) where: Base-Base interactions energy: -1159.678 where: short stacking energy: -465.540 Base-Backbone interact. energy: -2.212 local terms energy: -478.930616 where: bonds (distance) C4'-P energy: -87.235 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -106.147 flat angles P-C4'-P energy: -66.540 tors. eta vs tors. theta energy: -131.539 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: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1480.474493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.474493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.474493 (E_RNA) where: Base-Base interactions energy: -1037.476 where: short stacking energy: -422.401 Base-Backbone interact. energy: -0.876 local terms energy: -442.122038 where: bonds (distance) C4'-P energy: -83.016 bonds (distance) P-C4' energy: -86.853 flat angles C4'-P-C4' energy: -101.387 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -96.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1461.458349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.458349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.458349 (E_RNA) where: Base-Base interactions energy: -1018.431 where: short stacking energy: -434.789 Base-Backbone interact. energy: -2.762 local terms energy: -440.265216 where: bonds (distance) C4'-P energy: -80.956 bonds (distance) P-C4' energy: -91.151 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -60.083 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: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1288.165761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.165761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.165761 (E_RNA) where: Base-Base interactions energy: -887.702 where: short stacking energy: -390.752 Base-Backbone interact. energy: -0.750 local terms energy: -399.713333 where: bonds (distance) C4'-P energy: -79.577 bonds (distance) P-C4' energy: -82.056 flat angles C4'-P-C4' energy: -86.846 flat angles P-C4'-P energy: -47.606 tors. eta vs tors. theta energy: -103.627 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: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1277.475688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.475688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.475688 (E_RNA) where: Base-Base interactions energy: -858.437 where: short stacking energy: -362.830 Base-Backbone interact. energy: -5.559 local terms energy: -413.479339 where: bonds (distance) C4'-P energy: -83.411 bonds (distance) P-C4' energy: -91.008 flat angles C4'-P-C4' energy: -93.005 flat angles P-C4'-P energy: -53.946 tors. eta vs tors. theta energy: -92.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1070.430376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.430376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.430376 (E_RNA) where: Base-Base interactions energy: -701.362 where: short stacking energy: -324.947 Base-Backbone interact. energy: 0.078 local terms energy: -369.146732 where: bonds (distance) C4'-P energy: -67.890 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -75.110 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -72.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -999.223588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.223588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.223588 (E_RNA) where: Base-Base interactions energy: -676.127 where: short stacking energy: -281.734 Base-Backbone interact. energy: -1.834 local terms energy: -321.262040 where: bonds (distance) C4'-P energy: -67.503 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -79.687 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -53.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -575.614939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.614939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.614939 (E_RNA) where: Base-Base interactions energy: -321.697 where: short stacking energy: -167.603 Base-Backbone interact. energy: 0.059 local terms energy: -253.977341 where: bonds (distance) C4'-P energy: -61.618 bonds (distance) P-C4' energy: -82.250 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: 2.096 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: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1774.117994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.117994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.117994 (E_RNA) where: Base-Base interactions energy: -1239.761 where: short stacking energy: -515.355 Base-Backbone interact. energy: -4.946 local terms energy: -529.411481 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -103.150 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -148.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1699.675448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.675448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.675448 (E_RNA) where: Base-Base interactions energy: -1194.297 where: short stacking energy: -498.852 Base-Backbone interact. energy: -0.905 local terms energy: -504.473714 where: bonds (distance) C4'-P energy: -83.527 bonds (distance) P-C4' energy: -98.584 flat angles C4'-P-C4' energy: -108.463 flat angles P-C4'-P energy: -73.542 tors. eta vs tors. theta energy: -140.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1625.176053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.176053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.176053 (E_RNA) where: Base-Base interactions energy: -1170.224 where: short stacking energy: -486.168 Base-Backbone interact. energy: -4.469 local terms energy: -450.483622 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -98.919 flat angles P-C4'-P energy: -66.258 tors. eta vs tors. theta energy: -120.466 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: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1491.537457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.537457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.537457 (E_RNA) where: Base-Base interactions energy: -1047.825 where: short stacking energy: -436.419 Base-Backbone interact. energy: -1.651 local terms energy: -442.061757 where: bonds (distance) C4'-P energy: -79.260 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -102.594 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -107.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1446.354123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.354123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.354123 (E_RNA) where: Base-Base interactions energy: -1011.703 where: short stacking energy: -430.506 Base-Backbone interact. energy: -1.262 local terms energy: -433.388596 where: bonds (distance) C4'-P energy: -84.408 bonds (distance) P-C4' energy: -79.711 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -110.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1253.042209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.042209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.042209 (E_RNA) where: Base-Base interactions energy: -854.963 where: short stacking energy: -375.793 Base-Backbone interact. energy: -2.113 local terms energy: -395.966284 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -80.609 flat angles C4'-P-C4' energy: -86.244 flat angles P-C4'-P energy: -56.759 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: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1266.019149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.019149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.019149 (E_RNA) where: Base-Base interactions energy: -861.628 where: short stacking energy: -338.774 Base-Backbone interact. energy: -0.798 local terms energy: -403.592677 where: bonds (distance) C4'-P energy: -81.447 bonds (distance) P-C4' energy: -93.884 flat angles C4'-P-C4' energy: -92.789 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -72.596 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: 418 Temperature: 1.250000 Total energy: -1094.363217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.363217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.363217 (E_RNA) where: Base-Base interactions energy: -734.901 where: short stacking energy: -321.393 Base-Backbone interact. energy: -0.910 local terms energy: -358.551616 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -85.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1004.103034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.103034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.103034 (E_RNA) where: Base-Base interactions energy: -702.468 where: short stacking energy: -301.366 Base-Backbone interact. energy: -1.954 local terms energy: -299.681047 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: -56.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -532.671451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.671451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.671451 (E_RNA) where: Base-Base interactions energy: -256.868 where: short stacking energy: -173.589 Base-Backbone interact. energy: -0.646 local terms energy: -275.157125 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -92.157 flat angles C4'-P-C4' energy: -69.981 flat angles P-C4'-P energy: -28.575 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1771.898204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.898204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.898204 (E_RNA) where: Base-Base interactions energy: -1244.136 where: short stacking energy: -495.409 Base-Backbone interact. energy: -1.943 local terms energy: -525.819251 where: bonds (distance) C4'-P energy: -98.563 bonds (distance) P-C4' energy: -98.484 flat angles C4'-P-C4' energy: -105.897 flat angles P-C4'-P energy: -79.801 tors. eta vs tors. theta energy: -143.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1650.839527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.839527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.839527 (E_RNA) where: Base-Base interactions energy: -1157.649 where: short stacking energy: -483.496 Base-Backbone interact. energy: -3.610 local terms energy: -489.580283 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -93.973 flat angles C4'-P-C4' energy: -109.024 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -136.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1604.641769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.641769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.641769 (E_RNA) where: Base-Base interactions energy: -1147.736 where: short stacking energy: -464.240 Base-Backbone interact. energy: -0.691 local terms energy: -456.214551 where: bonds (distance) C4'-P energy: -83.844 bonds (distance) P-C4' energy: -89.614 flat angles C4'-P-C4' energy: -94.863 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: -122.948 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: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1499.227484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.227484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.227484 (E_RNA) where: Base-Base interactions energy: -1049.115 where: short stacking energy: -429.330 Base-Backbone interact. energy: 0.438 local terms energy: -450.549704 where: bonds (distance) C4'-P energy: -89.336 bonds (distance) P-C4' energy: -80.566 flat angles C4'-P-C4' energy: -94.038 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -118.892 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: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1433.463157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.463157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.463157 (E_RNA) where: Base-Base interactions energy: -987.245 where: short stacking energy: -394.669 Base-Backbone interact. energy: -2.019 local terms energy: -444.199315 where: bonds (distance) C4'-P energy: -92.907 bonds (distance) P-C4' energy: -88.815 flat angles C4'-P-C4' energy: -98.433 flat angles P-C4'-P energy: -68.765 tors. eta vs tors. theta energy: -95.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1308.544170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.544170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.544170 (E_RNA) where: Base-Base interactions energy: -910.734 where: short stacking energy: -385.010 Base-Backbone interact. energy: -1.921 local terms energy: -395.889311 where: bonds (distance) C4'-P energy: -76.066 bonds (distance) P-C4' energy: -85.326 flat angles C4'-P-C4' energy: -89.300 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -98.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1201.977827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.977827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.977827 (E_RNA) where: Base-Base interactions energy: -793.144 where: short stacking energy: -348.872 Base-Backbone interact. energy: -4.333 local terms energy: -404.500660 where: bonds (distance) C4'-P energy: -66.625 bonds (distance) P-C4' energy: -95.986 flat angles C4'-P-C4' energy: -87.961 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -94.627 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: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1111.066964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.066964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.066964 (E_RNA) where: Base-Base interactions energy: -755.210 where: short stacking energy: -318.990 Base-Backbone interact. energy: 2.300 local terms energy: -358.156408 where: bonds (distance) C4'-P energy: -79.157 bonds (distance) P-C4' energy: -75.549 flat angles C4'-P-C4' energy: -84.779 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -74.583 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: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1026.819787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.819787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.819787 (E_RNA) where: Base-Base interactions energy: -692.111 where: short stacking energy: -303.281 Base-Backbone interact. energy: -1.408 local terms energy: -333.300297 where: bonds (distance) C4'-P energy: -92.143 bonds (distance) P-C4' energy: -50.629 flat angles C4'-P-C4' energy: -81.070 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: -59.409 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: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -502.770945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.770945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.770945 (E_RNA) where: Base-Base interactions energy: -249.268 where: short stacking energy: -152.725 Base-Backbone interact. energy: 0.605 local terms energy: -254.108533 where: bonds (distance) C4'-P energy: -81.679 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -24.726 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1786.449782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.449782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.449782 (E_RNA) where: Base-Base interactions energy: -1284.642 where: short stacking energy: -539.173 Base-Backbone interact. energy: 1.558 local terms energy: -503.365200 where: bonds (distance) C4'-P energy: -84.403 bonds (distance) P-C4' energy: -86.392 flat angles C4'-P-C4' energy: -109.838 flat angles P-C4'-P energy: -70.191 tors. eta vs tors. theta energy: -152.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1672.150443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.150443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.150443 (E_RNA) where: Base-Base interactions energy: -1177.590 where: short stacking energy: -489.375 Base-Backbone interact. energy: -2.154 local terms energy: -492.406641 where: bonds (distance) C4'-P energy: -98.825 bonds (distance) P-C4' energy: -89.880 flat angles C4'-P-C4' energy: -101.483 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -136.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1631.683430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.683430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.683430 (E_RNA) where: Base-Base interactions energy: -1155.161 where: short stacking energy: -457.253 Base-Backbone interact. energy: -0.334 local terms energy: -476.188350 where: bonds (distance) C4'-P energy: -87.350 bonds (distance) P-C4' energy: -96.623 flat angles C4'-P-C4' energy: -102.115 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -122.771 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: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1489.052672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.052672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.052672 (E_RNA) where: Base-Base interactions energy: -1042.763 where: short stacking energy: -435.184 Base-Backbone interact. energy: 0.460 local terms energy: -446.749751 where: bonds (distance) C4'-P energy: -92.248 bonds (distance) P-C4' energy: -75.449 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -66.048 tors. eta vs tors. theta energy: -119.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1452.533065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.533065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.533065 (E_RNA) where: Base-Base interactions energy: -1011.184 where: short stacking energy: -410.923 Base-Backbone interact. energy: -2.894 local terms energy: -438.454899 where: bonds (distance) C4'-P energy: -76.492 bonds (distance) P-C4' energy: -96.554 flat angles C4'-P-C4' energy: -91.908 flat angles P-C4'-P energy: -66.210 tors. eta vs tors. theta energy: -107.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1328.421628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.421628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.421628 (E_RNA) where: Base-Base interactions energy: -902.728 where: short stacking energy: -377.629 Base-Backbone interact. energy: -2.956 local terms energy: -422.737625 where: bonds (distance) C4'-P energy: -79.597 bonds (distance) P-C4' energy: -90.990 flat angles C4'-P-C4' energy: -91.758 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -99.348 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: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1228.186859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.186859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.186859 (E_RNA) where: Base-Base interactions energy: -841.751 where: short stacking energy: -341.737 Base-Backbone interact. energy: -0.412 local terms energy: -386.023824 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -77.886 flat angles C4'-P-C4' energy: -95.273 flat angles P-C4'-P energy: -54.172 tors. eta vs tors. theta energy: -81.256 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: 420 Temperature: 1.250000 Total energy: -1105.779072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.779072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.779072 (E_RNA) where: Base-Base interactions energy: -721.423 where: short stacking energy: -330.213 Base-Backbone interact. energy: 1.203 local terms energy: -385.559297 where: bonds (distance) C4'-P energy: -81.488 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -87.080 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: 420 Temperature: 1.300000 Total energy: -1029.521826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.521826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.521826 (E_RNA) where: Base-Base interactions energy: -684.350 where: short stacking energy: -295.330 Base-Backbone interact. energy: 1.073 local terms energy: -346.245098 where: bonds (distance) C4'-P energy: -74.802 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -60.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -518.482877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.482877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.482877 (E_RNA) where: Base-Base interactions energy: -252.362 where: short stacking energy: -165.428 Base-Backbone interact. energy: 1.468 local terms energy: -267.588236 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -65.286 flat angles C4'-P-C4' energy: -79.348 flat angles P-C4'-P energy: -36.379 tors. eta vs tors. theta energy: -10.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1777.729760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.729760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.729760 (E_RNA) where: Base-Base interactions energy: -1244.698 where: short stacking energy: -502.650 Base-Backbone interact. energy: -0.583 local terms energy: -532.448727 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -99.343 flat angles C4'-P-C4' energy: -113.268 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -142.459 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: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1658.772664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.772664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.772664 (E_RNA) where: Base-Base interactions energy: -1185.727 where: short stacking energy: -481.034 Base-Backbone interact. energy: -1.819 local terms energy: -471.226485 where: bonds (distance) C4'-P energy: -79.541 bonds (distance) P-C4' energy: -99.064 flat angles C4'-P-C4' energy: -95.423 flat angles P-C4'-P energy: -62.079 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: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1617.021813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.021813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.021813 (E_RNA) where: Base-Base interactions energy: -1129.397 where: short stacking energy: -459.819 Base-Backbone interact. energy: -3.510 local terms energy: -484.115370 where: bonds (distance) C4'-P energy: -100.354 bonds (distance) P-C4' energy: -98.686 flat angles C4'-P-C4' energy: -95.588 flat angles P-C4'-P energy: -67.764 tors. eta vs tors. theta energy: -121.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1460.153732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.153732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.153732 (E_RNA) where: Base-Base interactions energy: -1026.270 where: short stacking energy: -410.458 Base-Backbone interact. energy: -2.552 local terms energy: -431.332527 where: bonds (distance) C4'-P energy: -94.058 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -78.511 flat angles P-C4'-P energy: -61.811 tors. eta vs tors. theta energy: -106.949 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: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1433.145454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.145454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.145454 (E_RNA) where: Base-Base interactions energy: -1013.325 where: short stacking energy: -383.464 Base-Backbone interact. energy: -4.124 local terms energy: -415.696870 where: bonds (distance) C4'-P energy: -86.824 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -87.838 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: -100.440 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: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1297.257069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.257069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.257069 (E_RNA) where: Base-Base interactions energy: -854.469 where: short stacking energy: -354.283 Base-Backbone interact. energy: -1.213 local terms energy: -441.574718 where: bonds (distance) C4'-P energy: -83.574 bonds (distance) P-C4' energy: -88.579 flat angles C4'-P-C4' energy: -103.779 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -95.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1201.680998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.680998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.680998 (E_RNA) where: Base-Base interactions energy: -801.183 where: short stacking energy: -358.279 Base-Backbone interact. energy: -0.990 local terms energy: -399.508377 where: bonds (distance) C4'-P energy: -74.584 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -51.973 tors. eta vs tors. theta energy: -93.313 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: 421 Temperature: 1.250000 Total energy: -1110.980621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.980621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.980621 (E_RNA) where: Base-Base interactions energy: -739.814 where: short stacking energy: -361.690 Base-Backbone interact. energy: -0.733 local terms energy: -370.433390 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -91.611 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -78.349 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: 421 Temperature: 1.300000 Total energy: -1066.870011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.870011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.870011 (E_RNA) where: Base-Base interactions energy: -708.603 where: short stacking energy: -298.776 Base-Backbone interact. energy: -3.050 local terms energy: -355.217020 where: bonds (distance) C4'-P energy: -71.820 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -65.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -578.951666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.951666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.951666 (E_RNA) where: Base-Base interactions energy: -289.561 where: short stacking energy: -180.231 Base-Backbone interact. energy: 2.878 local terms energy: -292.267855 where: bonds (distance) C4'-P energy: -76.492 bonds (distance) P-C4' energy: -97.274 flat angles C4'-P-C4' energy: -70.966 flat angles P-C4'-P energy: -34.724 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: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1776.862764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.862764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.862764 (E_RNA) where: Base-Base interactions energy: -1277.715 where: short stacking energy: -528.677 Base-Backbone interact. energy: 0.039 local terms energy: -499.185964 where: bonds (distance) C4'-P energy: -82.715 bonds (distance) P-C4' energy: -91.706 flat angles C4'-P-C4' energy: -105.591 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -149.801 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: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1681.918041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.918041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.918041 (E_RNA) where: Base-Base interactions energy: -1186.425 where: short stacking energy: -468.703 Base-Backbone interact. energy: -1.882 local terms energy: -493.611375 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -105.616 flat angles P-C4'-P energy: -71.534 tors. eta vs tors. theta energy: -126.137 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: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1632.615541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.615541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.615541 (E_RNA) where: Base-Base interactions energy: -1149.175 where: short stacking energy: -481.059 Base-Backbone interact. energy: -2.336 local terms energy: -481.105080 where: bonds (distance) C4'-P energy: -84.905 bonds (distance) P-C4' energy: -100.380 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -130.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1482.488543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.488543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.488543 (E_RNA) where: Base-Base interactions energy: -1019.926 where: short stacking energy: -435.452 Base-Backbone interact. energy: -2.267 local terms energy: -460.295804 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -90.420 flat angles C4'-P-C4' energy: -106.223 flat angles P-C4'-P energy: -71.291 tors. eta vs tors. theta energy: -112.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1446.775909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.775909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.775909 (E_RNA) where: Base-Base interactions energy: -991.196 where: short stacking energy: -417.916 Base-Backbone interact. energy: 3.174 local terms energy: -458.754584 where: bonds (distance) C4'-P energy: -91.509 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -100.747 flat angles P-C4'-P energy: -62.914 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: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1309.545630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.545630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.545630 (E_RNA) where: Base-Base interactions energy: -890.252 where: short stacking energy: -387.586 Base-Backbone interact. energy: -3.395 local terms energy: -415.898853 where: bonds (distance) C4'-P energy: -78.390 bonds (distance) P-C4' energy: -99.124 flat angles C4'-P-C4' energy: -93.655 flat angles P-C4'-P energy: -53.311 tors. eta vs tors. theta energy: -91.420 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: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1218.847489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.847489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.847489 (E_RNA) where: Base-Base interactions energy: -832.426 where: short stacking energy: -353.799 Base-Backbone interact. energy: 0.112 local terms energy: -386.533388 where: bonds (distance) C4'-P energy: -78.389 bonds (distance) P-C4' energy: -89.678 flat angles C4'-P-C4' energy: -73.468 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -85.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1088.414863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.414863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.414863 (E_RNA) where: Base-Base interactions energy: -739.928 where: short stacking energy: -343.435 Base-Backbone interact. energy: -0.341 local terms energy: -348.145611 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -88.062 flat angles C4'-P-C4' energy: -89.223 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -70.935 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: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1117.885435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.885435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.885435 (E_RNA) where: Base-Base interactions energy: -722.515 where: short stacking energy: -333.495 Base-Backbone interact. energy: -1.846 local terms energy: -393.524302 where: bonds (distance) C4'-P energy: -81.999 bonds (distance) P-C4' energy: -81.462 flat angles C4'-P-C4' energy: -88.796 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -89.356 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: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -538.234056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.234056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.234056 (E_RNA) where: Base-Base interactions energy: -271.886 where: short stacking energy: -177.266 Base-Backbone interact. energy: 6.097 local terms energy: -272.445290 where: bonds (distance) C4'-P energy: -76.120 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -72.473 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1760.630130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.630130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.630130 (E_RNA) where: Base-Base interactions energy: -1232.371 where: short stacking energy: -513.785 Base-Backbone interact. energy: -1.044 local terms energy: -527.215777 where: bonds (distance) C4'-P energy: -84.623 bonds (distance) P-C4' energy: -100.311 flat angles C4'-P-C4' energy: -115.295 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: -144.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1680.924939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.924939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.924939 (E_RNA) where: Base-Base interactions energy: -1189.269 where: short stacking energy: -479.339 Base-Backbone interact. energy: 1.919 local terms energy: -493.574778 where: bonds (distance) C4'-P energy: -90.250 bonds (distance) P-C4' energy: -88.104 flat angles C4'-P-C4' energy: -112.880 flat angles P-C4'-P energy: -75.704 tors. eta vs tors. theta energy: -126.637 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: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1596.340679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.340679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.340679 (E_RNA) where: Base-Base interactions energy: -1143.316 where: short stacking energy: -458.399 Base-Backbone interact. energy: -0.364 local terms energy: -452.661337 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -91.356 flat angles C4'-P-C4' energy: -87.868 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -116.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1491.557134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.557134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.557134 (E_RNA) where: Base-Base interactions energy: -1034.471 where: short stacking energy: -436.628 Base-Backbone interact. energy: 1.588 local terms energy: -458.674715 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -82.488 flat angles C4'-P-C4' energy: -100.945 flat angles P-C4'-P energy: -70.188 tors. eta vs tors. theta energy: -119.378 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: 423 Temperature: 1.100000 Total energy: -1421.363282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.363282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.363282 (E_RNA) where: Base-Base interactions energy: -998.847 where: short stacking energy: -396.982 Base-Backbone interact. energy: -5.690 local terms energy: -416.826272 where: bonds (distance) C4'-P energy: -84.307 bonds (distance) P-C4' energy: -81.604 flat angles C4'-P-C4' energy: -95.483 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -96.238 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: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1355.122762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.122762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.122762 (E_RNA) where: Base-Base interactions energy: -915.230 where: short stacking energy: -411.322 Base-Backbone interact. energy: -2.704 local terms energy: -437.188277 where: bonds (distance) C4'-P energy: -96.001 bonds (distance) P-C4' energy: -90.613 flat angles C4'-P-C4' energy: -96.422 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -96.817 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: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1224.869816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.869816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.869816 (E_RNA) where: Base-Base interactions energy: -840.012 where: short stacking energy: -350.241 Base-Backbone interact. energy: -2.641 local terms energy: -382.217183 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -81.012 flat angles C4'-P-C4' energy: -80.910 flat angles P-C4'-P energy: -64.590 tors. eta vs tors. theta energy: -81.007 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: 423 Temperature: 1.250000 Total energy: -1122.986688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.986688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.986688 (E_RNA) where: Base-Base interactions energy: -750.137 where: short stacking energy: -324.160 Base-Backbone interact. energy: -2.073 local terms energy: -370.776882 where: bonds (distance) C4'-P energy: -69.924 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -88.248 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -75.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1022.526605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.526605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.526605 (E_RNA) where: Base-Base interactions energy: -655.963 where: short stacking energy: -290.848 Base-Backbone interact. energy: -0.586 local terms energy: -365.977746 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -84.573 flat angles C4'-P-C4' energy: -75.550 flat angles P-C4'-P energy: -61.562 tors. eta vs tors. theta energy: -68.311 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: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -523.343534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.343534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.343534 (E_RNA) where: Base-Base interactions energy: -260.535 where: short stacking energy: -166.036 Base-Backbone interact. energy: -2.286 local terms energy: -260.521762 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -84.641 flat angles C4'-P-C4' energy: -63.529 flat angles P-C4'-P energy: -28.873 tors. eta vs tors. theta energy: -5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1781.318311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.318311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.318311 (E_RNA) where: Base-Base interactions energy: -1260.555 where: short stacking energy: -513.306 Base-Backbone interact. energy: -1.876 local terms energy: -518.887347 where: bonds (distance) C4'-P energy: -92.029 bonds (distance) P-C4' energy: -91.486 flat angles C4'-P-C4' energy: -115.795 flat angles P-C4'-P energy: -73.308 tors. eta vs tors. theta energy: -146.270 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: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1675.174506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.174506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.174506 (E_RNA) where: Base-Base interactions energy: -1177.040 where: short stacking energy: -477.359 Base-Backbone interact. energy: -3.345 local terms energy: -494.789719 where: bonds (distance) C4'-P energy: -83.474 bonds (distance) P-C4' energy: -100.820 flat angles C4'-P-C4' energy: -101.865 flat angles P-C4'-P energy: -74.214 tors. eta vs tors. theta energy: -134.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1592.118438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.118438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.118438 (E_RNA) where: Base-Base interactions energy: -1124.946 where: short stacking energy: -454.492 Base-Backbone interact. energy: -3.153 local terms energy: -464.019379 where: bonds (distance) C4'-P energy: -91.856 bonds (distance) P-C4' energy: -95.892 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -64.217 tors. eta vs tors. theta energy: -118.057 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: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1511.134529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.134529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.134529 (E_RNA) where: Base-Base interactions energy: -1059.883 where: short stacking energy: -451.886 Base-Backbone interact. energy: -3.171 local terms energy: -448.080069 where: bonds (distance) C4'-P energy: -74.668 bonds (distance) P-C4' energy: -90.015 flat angles C4'-P-C4' energy: -98.513 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -116.670 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: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1460.923076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.923076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.923076 (E_RNA) where: Base-Base interactions energy: -1026.865 where: short stacking energy: -416.177 Base-Backbone interact. energy: -2.964 local terms energy: -431.094378 where: bonds (distance) C4'-P energy: -81.295 bonds (distance) P-C4' energy: -95.752 flat angles C4'-P-C4' energy: -103.951 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -105.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1364.829317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.829317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.829317 (E_RNA) where: Base-Base interactions energy: -913.758 where: short stacking energy: -403.249 Base-Backbone interact. energy: 1.952 local terms energy: -453.023869 where: bonds (distance) C4'-P energy: -85.388 bonds (distance) P-C4' energy: -84.052 flat angles C4'-P-C4' energy: -103.051 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: -120.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1214.695563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.695563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.695563 (E_RNA) where: Base-Base interactions energy: -812.046 where: short stacking energy: -360.684 Base-Backbone interact. energy: -1.410 local terms energy: -401.239367 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -94.253 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -86.874 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: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1143.687784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.687784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.687784 (E_RNA) where: Base-Base interactions energy: -757.272 where: short stacking energy: -336.435 Base-Backbone interact. energy: -1.683 local terms energy: -384.732379 where: bonds (distance) C4'-P energy: -79.524 bonds (distance) P-C4' energy: -72.815 flat angles C4'-P-C4' energy: -84.702 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: -93.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1014.238976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.238976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.238976 (E_RNA) where: Base-Base interactions energy: -667.861 where: short stacking energy: -299.150 Base-Backbone interact. energy: -0.793 local terms energy: -345.584743 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -78.230 flat angles P-C4'-P energy: -55.949 tors. eta vs tors. theta energy: -60.813 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: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -483.974730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.974730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.974730 (E_RNA) where: Base-Base interactions energy: -225.792 where: short stacking energy: -152.658 Base-Backbone interact. energy: -1.931 local terms energy: -256.251281 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -79.333 flat angles C4'-P-C4' energy: -60.668 flat angles P-C4'-P energy: -35.575 tors. eta vs tors. theta energy: -5.023 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: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1786.332090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.332090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.332090 (E_RNA) where: Base-Base interactions energy: -1249.114 where: short stacking energy: -511.568 Base-Backbone interact. energy: -1.321 local terms energy: -535.897245 where: bonds (distance) C4'-P energy: -95.823 bonds (distance) P-C4' energy: -103.918 flat angles C4'-P-C4' energy: -112.950 flat angles P-C4'-P energy: -77.081 tors. eta vs tors. theta energy: -146.126 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: 425 Temperature: 0.950000 Total energy: -1674.788234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.788234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.788234 (E_RNA) where: Base-Base interactions energy: -1190.373 where: short stacking energy: -486.056 Base-Backbone interact. energy: -3.764 local terms energy: -480.651688 where: bonds (distance) C4'-P energy: -85.811 bonds (distance) P-C4' energy: -90.644 flat angles C4'-P-C4' energy: -105.692 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -130.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1593.992942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.992942 (E_RNA) where: Base-Base interactions energy: -1121.209 where: short stacking energy: -453.978 Base-Backbone interact. energy: -3.509 local terms energy: -469.275749 where: bonds (distance) C4'-P energy: -83.112 bonds (distance) P-C4' energy: -94.547 flat angles C4'-P-C4' energy: -106.819 flat angles P-C4'-P energy: -66.095 tors. eta vs tors. theta energy: -118.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1494.612226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.612226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.612226 (E_RNA) where: Base-Base interactions energy: -1051.321 where: short stacking energy: -449.895 Base-Backbone interact. energy: -1.886 local terms energy: -441.405336 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -67.594 flat angles C4'-P-C4' energy: -112.589 flat angles P-C4'-P energy: -57.912 tors. eta vs tors. theta energy: -112.644 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: 5, replica: 5 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1463.886409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.886409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.886409 (E_RNA) where: Base-Base interactions energy: -1042.627 where: short stacking energy: -408.097 Base-Backbone interact. energy: 5.479 local terms energy: -426.738911 where: bonds (distance) C4'-P energy: -90.923 bonds (distance) P-C4' energy: -81.962 flat angles C4'-P-C4' energy: -81.297 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -113.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1292.599096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.599096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.599096 (E_RNA) where: Base-Base interactions energy: -883.995 where: short stacking energy: -389.524 Base-Backbone interact. energy: 0.910 local terms energy: -409.513772 where: bonds (distance) C4'-P energy: -82.378 bonds (distance) P-C4' energy: -88.708 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -105.386 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1218.645135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.645135 (E_RNA) where: Base-Base interactions energy: -819.838 where: short stacking energy: -352.839 Base-Backbone interact. energy: -0.755 local terms energy: -398.051533 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -76.932 flat angles C4'-P-C4' energy: -94.923 flat angles P-C4'-P energy: -51.205 tors. eta vs tors. theta energy: -88.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1133.947576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.947576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.947576 (E_RNA) where: Base-Base interactions energy: -769.774 where: short stacking energy: -345.232 Base-Backbone interact. energy: -0.884 local terms energy: -363.289550 where: bonds (distance) C4'-P energy: -78.445 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -75.926 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: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -957.583833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.583833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.583833 (E_RNA) where: Base-Base interactions energy: -623.829 where: short stacking energy: -275.103 Base-Backbone interact. energy: 0.982 local terms energy: -334.737574 where: bonds (distance) C4'-P energy: -85.319 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -50.368 tors. eta vs tors. theta energy: -53.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -543.113226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.113226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.113226 (E_RNA) where: Base-Base interactions energy: -261.780 where: short stacking energy: -169.317 Base-Backbone interact. energy: 5.349 local terms energy: -286.682019 where: bonds (distance) C4'-P energy: -83.076 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -59.374 flat angles P-C4'-P energy: -39.026 tors. eta vs tors. theta energy: -15.143 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: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1787.546859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.546859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.546859 (E_RNA) where: Base-Base interactions energy: -1262.019 where: short stacking energy: -528.996 Base-Backbone interact. energy: -1.852 local terms energy: -523.676219 where: bonds (distance) C4'-P energy: -88.151 bonds (distance) P-C4' energy: -103.034 flat angles C4'-P-C4' energy: -112.305 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -148.230 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: 426 Temperature: 0.950000 Total energy: -1665.022994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.022994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.022994 (E_RNA) where: Base-Base interactions energy: -1162.089 where: short stacking energy: -481.542 Base-Backbone interact. energy: -0.774 local terms energy: -502.160140 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -85.385 flat angles C4'-P-C4' energy: -111.110 flat angles P-C4'-P energy: -72.288 tors. eta vs tors. theta energy: -141.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1597.102073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.102073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.102073 (E_RNA) where: Base-Base interactions energy: -1126.209 where: short stacking energy: -466.733 Base-Backbone interact. energy: -2.225 local terms energy: -468.667753 where: bonds (distance) C4'-P energy: -87.708 bonds (distance) P-C4' energy: -91.284 flat angles C4'-P-C4' energy: -95.508 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -118.480 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: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1502.483099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.483099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.483099 (E_RNA) where: Base-Base interactions energy: -1034.984 where: short stacking energy: -426.554 Base-Backbone interact. energy: -3.116 local terms energy: -464.383559 where: bonds (distance) C4'-P energy: -98.685 bonds (distance) P-C4' energy: -89.523 flat angles C4'-P-C4' energy: -98.925 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: -112.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1427.335275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.335275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.335275 (E_RNA) where: Base-Base interactions energy: -1011.978 where: short stacking energy: -408.642 Base-Backbone interact. energy: 0.381 local terms energy: -415.738058 where: bonds (distance) C4'-P energy: -83.612 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -97.308 flat angles P-C4'-P energy: -56.515 tors. eta vs tors. theta energy: -94.326 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: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1309.267234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.267234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.267234 (E_RNA) where: Base-Base interactions energy: -875.914 where: short stacking energy: -370.861 Base-Backbone interact. energy: -2.006 local terms energy: -431.347560 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -88.137 flat angles C4'-P-C4' energy: -95.127 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -87.605 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: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1179.448988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.448988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.448988 (E_RNA) where: Base-Base interactions energy: -809.451 where: short stacking energy: -342.836 Base-Backbone interact. energy: -3.302 local terms energy: -366.695451 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -81.928 flat angles C4'-P-C4' energy: -94.002 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -72.596 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: 426 Temperature: 1.250000 Total energy: -1127.095927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.095927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.095927 (E_RNA) where: Base-Base interactions energy: -751.416 where: short stacking energy: -333.731 Base-Backbone interact. energy: -2.150 local terms energy: -373.530309 where: bonds (distance) C4'-P energy: -70.331 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: -80.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -987.048134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.048134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.048134 (E_RNA) where: Base-Base interactions energy: -652.550 where: short stacking energy: -289.634 Base-Backbone interact. energy: -0.647 local terms energy: -333.851013 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -79.695 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: -48.545 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: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -507.232674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.232674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.232674 (E_RNA) where: Base-Base interactions energy: -239.370 where: short stacking energy: -144.784 Base-Backbone interact. energy: 1.039 local terms energy: -268.901085 where: bonds (distance) C4'-P energy: -85.011 bonds (distance) P-C4' energy: -85.895 flat angles C4'-P-C4' energy: -59.451 flat angles P-C4'-P energy: -34.060 tors. eta vs tors. theta energy: -4.484 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: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1783.859532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.859532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.859532 (E_RNA) where: Base-Base interactions energy: -1264.144 where: short stacking energy: -512.755 Base-Backbone interact. energy: 0.503 local terms energy: -520.219024 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -88.926 flat angles C4'-P-C4' energy: -111.281 flat angles P-C4'-P energy: -69.831 tors. eta vs tors. theta energy: -149.895 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: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1673.682136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.682136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.682136 (E_RNA) where: Base-Base interactions energy: -1161.008 where: short stacking energy: -486.209 Base-Backbone interact. energy: -0.887 local terms energy: -511.786972 where: bonds (distance) C4'-P energy: -94.759 bonds (distance) P-C4' energy: -89.109 flat angles C4'-P-C4' energy: -111.568 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -141.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1598.221485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.221485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.221485 (E_RNA) where: Base-Base interactions energy: -1121.361 where: short stacking energy: -465.790 Base-Backbone interact. energy: -3.809 local terms energy: -473.051723 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -87.099 flat angles C4'-P-C4' energy: -103.497 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -124.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1476.919076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.919076 (E_RNA) where: Base-Base interactions energy: -1033.977 where: short stacking energy: -443.489 Base-Backbone interact. energy: -3.640 local terms energy: -439.302251 where: bonds (distance) C4'-P energy: -84.602 bonds (distance) P-C4' energy: -87.673 flat angles C4'-P-C4' energy: -88.677 flat angles P-C4'-P energy: -63.462 tors. eta vs tors. theta energy: -114.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1427.632325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.632325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.632325 (E_RNA) where: Base-Base interactions energy: -994.568 where: short stacking energy: -392.837 Base-Backbone interact. energy: -1.119 local terms energy: -431.945692 where: bonds (distance) C4'-P energy: -93.418 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -105.023 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -103.947 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: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1306.481565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.481565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.481565 (E_RNA) where: Base-Base interactions energy: -885.755 where: short stacking energy: -366.224 Base-Backbone interact. energy: 2.483 local terms energy: -423.210246 where: bonds (distance) C4'-P energy: -84.651 bonds (distance) P-C4' energy: -94.910 flat angles C4'-P-C4' energy: -86.011 flat angles P-C4'-P energy: -70.664 tors. eta vs tors. theta energy: -86.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1182.550184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.550184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.550184 (E_RNA) where: Base-Base interactions energy: -809.517 where: short stacking energy: -331.021 Base-Backbone interact. energy: -1.543 local terms energy: -371.490285 where: bonds (distance) C4'-P energy: -75.263 bonds (distance) P-C4' energy: -77.378 flat angles C4'-P-C4' energy: -104.529 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -72.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1120.214465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.214465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.214465 (E_RNA) where: Base-Base interactions energy: -774.082 where: short stacking energy: -334.598 Base-Backbone interact. energy: -2.812 local terms energy: -343.320153 where: bonds (distance) C4'-P energy: -72.255 bonds (distance) P-C4' energy: -69.752 flat angles C4'-P-C4' energy: -80.180 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -67.421 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: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -991.185510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.185510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.185510 (E_RNA) where: Base-Base interactions energy: -648.139 where: short stacking energy: -272.244 Base-Backbone interact. energy: -2.890 local terms energy: -340.156419 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -87.875 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -50.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -598.436708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.436708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.436708 (E_RNA) where: Base-Base interactions energy: -289.174 where: short stacking energy: -152.216 Base-Backbone interact. energy: 2.630 local terms energy: -311.892789 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -87.610 flat angles C4'-P-C4' energy: -68.692 flat angles P-C4'-P energy: -58.517 tors. eta vs tors. theta energy: -11.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1791.040447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.040447 (E_RNA) where: Base-Base interactions energy: -1283.458 where: short stacking energy: -524.168 Base-Backbone interact. energy: 1.930 local terms energy: -509.512750 where: bonds (distance) C4'-P energy: -97.921 bonds (distance) P-C4' energy: -73.696 flat angles C4'-P-C4' energy: -109.137 flat angles P-C4'-P energy: -74.628 tors. eta vs tors. theta energy: -154.131 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: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1665.880638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.880638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.880638 (E_RNA) where: Base-Base interactions energy: -1179.612 where: short stacking energy: -502.671 Base-Backbone interact. energy: -3.392 local terms energy: -482.876658 where: bonds (distance) C4'-P energy: -92.097 bonds (distance) P-C4' energy: -80.905 flat angles C4'-P-C4' energy: -110.463 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -137.840 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: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1589.294928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.294928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.294928 (E_RNA) where: Base-Base interactions energy: -1124.885 where: short stacking energy: -476.527 Base-Backbone interact. energy: -1.416 local terms energy: -462.994022 where: bonds (distance) C4'-P energy: -78.104 bonds (distance) P-C4' energy: -93.570 flat angles C4'-P-C4' energy: -96.344 flat angles P-C4'-P energy: -75.404 tors. eta vs tors. theta energy: -119.572 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: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1486.456174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.456174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.456174 (E_RNA) where: Base-Base interactions energy: -1054.831 where: short stacking energy: -438.429 Base-Backbone interact. energy: 3.410 local terms energy: -435.035312 where: bonds (distance) C4'-P energy: -89.665 bonds (distance) P-C4' energy: -78.684 flat angles C4'-P-C4' energy: -94.475 flat angles P-C4'-P energy: -56.059 tors. eta vs tors. theta energy: -116.153 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: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1452.595311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.595311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.595311 (E_RNA) where: Base-Base interactions energy: -1024.256 where: short stacking energy: -416.511 Base-Backbone interact. energy: -1.015 local terms energy: -427.323972 where: bonds (distance) C4'-P energy: -82.471 bonds (distance) P-C4' energy: -96.350 flat angles C4'-P-C4' energy: -91.089 flat angles P-C4'-P energy: -56.337 tors. eta vs tors. theta energy: -101.076 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: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1285.310724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.310724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.310724 (E_RNA) where: Base-Base interactions energy: -884.368 where: short stacking energy: -388.311 Base-Backbone interact. energy: -1.605 local terms energy: -399.337848 where: bonds (distance) C4'-P energy: -73.144 bonds (distance) P-C4' energy: -81.948 flat angles C4'-P-C4' energy: -93.535 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -101.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1225.547371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.547371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.547371 (E_RNA) where: Base-Base interactions energy: -828.602 where: short stacking energy: -340.682 Base-Backbone interact. energy: -2.387 local terms energy: -394.558869 where: bonds (distance) C4'-P energy: -65.570 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -98.437 flat angles P-C4'-P energy: -61.873 tors. eta vs tors. theta energy: -96.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1160.565443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.565443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.565443 (E_RNA) where: Base-Base interactions energy: -765.541 where: short stacking energy: -349.217 Base-Backbone interact. energy: -2.573 local terms energy: -392.451512 where: bonds (distance) C4'-P energy: -83.992 bonds (distance) P-C4' energy: -86.159 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -50.093 tors. eta vs tors. theta energy: -86.555 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: 428 Temperature: 1.300000 Total energy: -1064.596460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.596460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.596460 (E_RNA) where: Base-Base interactions energy: -723.458 where: short stacking energy: -319.976 Base-Backbone interact. energy: 2.648 local terms energy: -343.787207 where: bonds (distance) C4'-P energy: -72.100 bonds (distance) P-C4' energy: -67.632 flat angles C4'-P-C4' energy: -79.113 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -67.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -595.421413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.421413 (E_RNA) where: Base-Base interactions energy: -317.419 where: short stacking energy: -173.145 Base-Backbone interact. energy: -1.017 local terms energy: -276.985800 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -68.390 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -16.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1792.132443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.132443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.132443 (E_RNA) where: Base-Base interactions energy: -1269.189 where: short stacking energy: -512.929 Base-Backbone interact. energy: -2.418 local terms energy: -520.525712 where: bonds (distance) C4'-P energy: -93.492 bonds (distance) P-C4' energy: -88.317 flat angles C4'-P-C4' energy: -116.462 flat angles P-C4'-P energy: -77.263 tors. eta vs tors. theta energy: -144.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1686.204610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.204610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.204610 (E_RNA) where: Base-Base interactions energy: -1181.795 where: short stacking energy: -507.799 Base-Backbone interact. energy: -2.280 local terms energy: -502.129245 where: bonds (distance) C4'-P energy: -96.627 bonds (distance) P-C4' energy: -83.147 flat angles C4'-P-C4' energy: -105.821 flat angles P-C4'-P energy: -75.259 tors. eta vs tors. theta energy: -141.275 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: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1589.358984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.358984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.358984 (E_RNA) where: Base-Base interactions energy: -1118.816 where: short stacking energy: -459.201 Base-Backbone interact. energy: -1.678 local terms energy: -468.864578 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -99.730 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -118.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1459.037441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.037441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.037441 (E_RNA) where: Base-Base interactions energy: -1009.098 where: short stacking energy: -412.961 Base-Backbone interact. energy: -2.302 local terms energy: -447.637220 where: bonds (distance) C4'-P energy: -88.294 bonds (distance) P-C4' energy: -73.172 flat angles C4'-P-C4' energy: -106.459 flat angles P-C4'-P energy: -72.925 tors. eta vs tors. theta energy: -106.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1424.345496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.345496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.345496 (E_RNA) where: Base-Base interactions energy: -995.844 where: short stacking energy: -420.871 Base-Backbone interact. energy: -3.618 local terms energy: -424.884038 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -89.696 flat angles C4'-P-C4' energy: -93.284 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -97.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1259.544469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.544469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.544469 (E_RNA) where: Base-Base interactions energy: -863.873 where: short stacking energy: -355.017 Base-Backbone interact. energy: -2.459 local terms energy: -393.211801 where: bonds (distance) C4'-P energy: -88.098 bonds (distance) P-C4' energy: -89.336 flat angles C4'-P-C4' energy: -80.853 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -76.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1208.101395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.101395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.101395 (E_RNA) where: Base-Base interactions energy: -804.909 where: short stacking energy: -340.824 Base-Backbone interact. energy: 2.154 local terms energy: -405.347024 where: bonds (distance) C4'-P energy: -84.661 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -94.298 flat angles P-C4'-P energy: -50.302 tors. eta vs tors. theta energy: -92.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1170.625814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.625814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.625814 (E_RNA) where: Base-Base interactions energy: -778.656 where: short stacking energy: -326.410 Base-Backbone interact. energy: -1.434 local terms energy: -390.535356 where: bonds (distance) C4'-P energy: -84.758 bonds (distance) P-C4' energy: -88.874 flat angles C4'-P-C4' energy: -87.460 flat angles P-C4'-P energy: -54.970 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: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1076.377899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.377899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.377899 (E_RNA) where: Base-Base interactions energy: -717.724 where: short stacking energy: -303.463 Base-Backbone interact. energy: -0.254 local terms energy: -358.400188 where: bonds (distance) C4'-P energy: -84.617 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -89.430 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: -50.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -614.060539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.060539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.060539 (E_RNA) where: Base-Base interactions energy: -338.206 where: short stacking energy: -174.982 Base-Backbone interact. energy: -3.034 local terms energy: -272.820907 where: bonds (distance) C4'-P energy: -79.717 bonds (distance) P-C4' energy: -65.377 flat angles C4'-P-C4' energy: -66.798 flat angles P-C4'-P energy: -33.563 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: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1777.315394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.315394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.315394 (E_RNA) where: Base-Base interactions energy: -1259.022 where: short stacking energy: -508.894 Base-Backbone interact. energy: -2.716 local terms energy: -515.577274 where: bonds (distance) C4'-P energy: -89.865 bonds (distance) P-C4' energy: -96.199 flat angles C4'-P-C4' energy: -106.202 flat angles P-C4'-P energy: -79.961 tors. eta vs tors. theta energy: -143.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1666.844533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.844533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.844533 (E_RNA) where: Base-Base interactions energy: -1174.289 where: short stacking energy: -481.732 Base-Backbone interact. energy: -3.201 local terms energy: -489.354939 where: bonds (distance) C4'-P energy: -89.670 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -103.255 flat angles P-C4'-P energy: -72.922 tors. eta vs tors. theta energy: -130.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1588.329955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.329955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.329955 (E_RNA) where: Base-Base interactions energy: -1130.985 where: short stacking energy: -484.480 Base-Backbone interact. energy: -1.033 local terms energy: -456.311422 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -78.043 flat angles C4'-P-C4' energy: -106.564 flat angles P-C4'-P energy: -70.425 tors. eta vs tors. theta energy: -113.448 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: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1506.355704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.355704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.355704 (E_RNA) where: Base-Base interactions energy: -1067.669 where: short stacking energy: -442.712 Base-Backbone interact. energy: 2.867 local terms energy: -441.553767 where: bonds (distance) C4'-P energy: -76.751 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -96.898 flat angles P-C4'-P energy: -75.702 tors. eta vs tors. theta energy: -110.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1458.761066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.761066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.761066 (E_RNA) where: Base-Base interactions energy: -1010.490 where: short stacking energy: -415.404 Base-Backbone interact. energy: 0.909 local terms energy: -449.180304 where: bonds (distance) C4'-P energy: -75.473 bonds (distance) P-C4' energy: -92.184 flat angles C4'-P-C4' energy: -101.048 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -109.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1306.691600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.691600 (E_RNA) where: Base-Base interactions energy: -894.465 where: short stacking energy: -391.903 Base-Backbone interact. energy: 0.306 local terms energy: -412.532438 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -83.418 flat angles C4'-P-C4' energy: -92.437 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -90.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1254.860339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.860339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.860339 (E_RNA) where: Base-Base interactions energy: -862.385 where: short stacking energy: -379.136 Base-Backbone interact. energy: 0.660 local terms energy: -393.134856 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -94.351 flat angles P-C4'-P energy: -53.595 tors. eta vs tors. theta energy: -91.704 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1188.797211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.797211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.797211 (E_RNA) where: Base-Base interactions energy: -804.730 where: short stacking energy: -334.828 Base-Backbone interact. energy: 0.321 local terms energy: -384.388185 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -72.575 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -82.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -998.584194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.584194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.584194 (E_RNA) where: Base-Base interactions energy: -653.462 where: short stacking energy: -273.490 Base-Backbone interact. energy: -1.829 local terms energy: -343.293109 where: bonds (distance) C4'-P energy: -80.646 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -82.356 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -52.137 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: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -593.394460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.394460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.394460 (E_RNA) where: Base-Base interactions energy: -340.647 where: short stacking energy: -179.948 Base-Backbone interact. energy: -0.851 local terms energy: -251.896568 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -57.056 flat angles P-C4'-P energy: -37.117 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1749.242571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.242571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.242571 (E_RNA) where: Base-Base interactions energy: -1235.070 where: short stacking energy: -511.221 Base-Backbone interact. energy: -4.858 local terms energy: -509.313839 where: bonds (distance) C4'-P energy: -89.267 bonds (distance) P-C4' energy: -89.497 flat angles C4'-P-C4' energy: -110.578 flat angles P-C4'-P energy: -76.250 tors. eta vs tors. theta energy: -143.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1658.088593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.088593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.088593 (E_RNA) where: Base-Base interactions energy: -1182.561 where: short stacking energy: -496.147 Base-Backbone interact. energy: 1.199 local terms energy: -476.726721 where: bonds (distance) C4'-P energy: -95.247 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -89.489 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -134.249 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: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1598.187635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.187635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.187635 (E_RNA) where: Base-Base interactions energy: -1133.111 where: short stacking energy: -462.471 Base-Backbone interact. energy: -2.403 local terms energy: -462.673312 where: bonds (distance) C4'-P energy: -81.978 bonds (distance) P-C4' energy: -92.082 flat angles C4'-P-C4' energy: -104.321 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -120.686 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: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1475.891070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.891070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.891070 (E_RNA) where: Base-Base interactions energy: -1014.679 where: short stacking energy: -409.282 Base-Backbone interact. energy: -4.132 local terms energy: -457.079718 where: bonds (distance) C4'-P energy: -86.457 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -109.397 flat angles P-C4'-P energy: -60.546 tors. eta vs tors. theta energy: -105.910 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: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1433.949180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.949180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.949180 (E_RNA) where: Base-Base interactions energy: -1010.399 where: short stacking energy: -418.448 Base-Backbone interact. energy: 0.947 local terms energy: -424.497429 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -91.518 flat angles C4'-P-C4' energy: -80.414 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -107.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1353.397846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.397846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.397846 (E_RNA) where: Base-Base interactions energy: -938.714 where: short stacking energy: -387.912 Base-Backbone interact. energy: -1.444 local terms energy: -413.239990 where: bonds (distance) C4'-P energy: -81.841 bonds (distance) P-C4' energy: -89.677 flat angles C4'-P-C4' energy: -86.473 flat angles P-C4'-P energy: -56.948 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: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1241.973315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.973315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.973315 (E_RNA) where: Base-Base interactions energy: -823.730 where: short stacking energy: -349.424 Base-Backbone interact. energy: -2.638 local terms energy: -415.605259 where: bonds (distance) C4'-P energy: -88.257 bonds (distance) P-C4' energy: -76.554 flat angles C4'-P-C4' energy: -94.059 flat angles P-C4'-P energy: -59.078 tors. eta vs tors. theta energy: -97.657 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: 431 Temperature: 1.250000 Total energy: -1151.173914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.173914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.173914 (E_RNA) where: Base-Base interactions energy: -800.516 where: short stacking energy: -325.307 Base-Backbone interact. energy: -1.695 local terms energy: -348.962022 where: bonds (distance) C4'-P energy: -79.028 bonds (distance) P-C4' energy: -71.534 flat angles C4'-P-C4' energy: -75.305 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -75.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1021.484640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.484640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.484640 (E_RNA) where: Base-Base interactions energy: -686.019 where: short stacking energy: -301.154 Base-Backbone interact. energy: 2.290 local terms energy: -337.755480 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -81.188 flat angles C4'-P-C4' energy: -77.809 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: -54.068 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: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -678.850861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.850861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.850861 (E_RNA) where: Base-Base interactions energy: -377.290 where: short stacking energy: -194.702 Base-Backbone interact. energy: -0.582 local terms energy: -300.978617 where: bonds (distance) C4'-P energy: -81.513 bonds (distance) P-C4' energy: -84.926 flat angles C4'-P-C4' energy: -71.231 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -21.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1776.378865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.378865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.378865 (E_RNA) where: Base-Base interactions energy: -1256.844 where: short stacking energy: -517.342 Base-Backbone interact. energy: -2.750 local terms energy: -516.785225 where: bonds (distance) C4'-P energy: -96.581 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -76.802 tors. eta vs tors. theta energy: -147.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1691.124565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.124565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.124565 (E_RNA) where: Base-Base interactions energy: -1185.071 where: short stacking energy: -479.093 Base-Backbone interact. energy: -2.345 local terms energy: -503.708869 where: bonds (distance) C4'-P energy: -99.406 bonds (distance) P-C4' energy: -89.274 flat angles C4'-P-C4' energy: -107.105 flat angles P-C4'-P energy: -70.241 tors. eta vs tors. theta energy: -137.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1589.034608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.034608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.034608 (E_RNA) where: Base-Base interactions energy: -1147.374 where: short stacking energy: -467.054 Base-Backbone interact. energy: -0.631 local terms energy: -441.030076 where: bonds (distance) C4'-P energy: -88.563 bonds (distance) P-C4' energy: -79.665 flat angles C4'-P-C4' energy: -99.107 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -122.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1472.804955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.804955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.804955 (E_RNA) where: Base-Base interactions energy: -1041.628 where: short stacking energy: -416.667 Base-Backbone interact. energy: 2.883 local terms energy: -434.059950 where: bonds (distance) C4'-P energy: -95.968 bonds (distance) P-C4' energy: -94.652 flat angles C4'-P-C4' energy: -88.774 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -96.290 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: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1446.005703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.005703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.005703 (E_RNA) where: Base-Base interactions energy: -1002.407 where: short stacking energy: -411.324 Base-Backbone interact. energy: -1.083 local terms energy: -442.515387 where: bonds (distance) C4'-P energy: -82.717 bonds (distance) P-C4' energy: -95.250 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -59.639 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: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1330.288468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.288468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.288468 (E_RNA) where: Base-Base interactions energy: -923.644 where: short stacking energy: -380.205 Base-Backbone interact. energy: -1.758 local terms energy: -404.886675 where: bonds (distance) C4'-P energy: -69.178 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -90.997 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -103.577 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: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1216.571739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.571739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.571739 (E_RNA) where: Base-Base interactions energy: -838.543 where: short stacking energy: -332.977 Base-Backbone interact. energy: -0.693 local terms energy: -377.335901 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -80.985 flat angles C4'-P-C4' energy: -84.508 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -85.532 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: 432 Temperature: 1.250000 Total energy: -1145.794217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.794217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.794217 (E_RNA) where: Base-Base interactions energy: -754.603 where: short stacking energy: -324.539 Base-Backbone interact. energy: -3.392 local terms energy: -387.799438 where: bonds (distance) C4'-P energy: -88.060 bonds (distance) P-C4' energy: -82.558 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -74.142 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: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -961.846376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.846376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.846376 (E_RNA) where: Base-Base interactions energy: -641.996 where: short stacking energy: -285.604 Base-Backbone interact. energy: 0.063 local terms energy: -319.913477 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -82.674 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: -57.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -639.254120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.254120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.254120 (E_RNA) where: Base-Base interactions energy: -381.938 where: short stacking energy: -183.890 Base-Backbone interact. energy: 1.576 local terms energy: -258.891818 where: bonds (distance) C4'-P energy: -65.043 bonds (distance) P-C4' energy: -62.876 flat angles C4'-P-C4' energy: -66.839 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -18.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1783.146377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.146377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.146377 (E_RNA) where: Base-Base interactions energy: -1258.361 where: short stacking energy: -520.127 Base-Backbone interact. energy: -2.435 local terms energy: -522.350005 where: bonds (distance) C4'-P energy: -92.337 bonds (distance) P-C4' energy: -97.135 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -72.134 tors. eta vs tors. theta energy: -153.645 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: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1605.793169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.793169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.793169 (E_RNA) where: Base-Base interactions energy: -1139.076 where: short stacking energy: -477.170 Base-Backbone interact. energy: -0.036 local terms energy: -466.680902 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -88.747 flat angles C4'-P-C4' energy: -92.687 flat angles P-C4'-P energy: -65.296 tors. eta vs tors. theta energy: -125.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1662.343756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.343756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.343756 (E_RNA) where: Base-Base interactions energy: -1163.985 where: short stacking energy: -474.568 Base-Backbone interact. energy: -0.126 local terms energy: -498.233163 where: bonds (distance) C4'-P energy: -92.900 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -78.166 tors. eta vs tors. theta energy: -131.812 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: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1483.415546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.415546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.415546 (E_RNA) where: Base-Base interactions energy: -1044.174 where: short stacking energy: -420.851 Base-Backbone interact. energy: -4.524 local terms energy: -434.717365 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -87.017 flat angles C4'-P-C4' energy: -97.521 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -98.070 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1402.622278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.622278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.622278 (E_RNA) where: Base-Base interactions energy: -948.660 where: short stacking energy: -391.057 Base-Backbone interact. energy: -1.199 local terms energy: -452.762976 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -96.461 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -105.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1332.397835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.397835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.397835 (E_RNA) where: Base-Base interactions energy: -934.944 where: short stacking energy: -371.985 Base-Backbone interact. energy: -1.144 local terms energy: -396.309185 where: bonds (distance) C4'-P energy: -73.944 bonds (distance) P-C4' energy: -85.922 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -95.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1208.629559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.629559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.629559 (E_RNA) where: Base-Base interactions energy: -833.519 where: short stacking energy: -364.860 Base-Backbone interact. energy: -1.648 local terms energy: -373.463074 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -96.980 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: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1173.024625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.024625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.024625 (E_RNA) where: Base-Base interactions energy: -783.142 where: short stacking energy: -328.304 Base-Backbone interact. energy: 4.032 local terms energy: -393.914975 where: bonds (distance) C4'-P energy: -84.746 bonds (distance) P-C4' energy: -85.563 flat angles C4'-P-C4' energy: -94.450 flat angles P-C4'-P energy: -56.008 tors. eta vs tors. theta energy: -73.147 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: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -993.045393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.045393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.045393 (E_RNA) where: Base-Base interactions energy: -645.071 where: short stacking energy: -283.590 Base-Backbone interact. energy: 3.464 local terms energy: -351.438071 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -89.508 flat angles C4'-P-C4' energy: -77.536 flat angles P-C4'-P energy: -50.657 tors. eta vs tors. theta energy: -58.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -642.531876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.531876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.531876 (E_RNA) where: Base-Base interactions energy: -332.546 where: short stacking energy: -159.791 Base-Backbone interact. energy: -0.025 local terms energy: -309.960856 where: bonds (distance) C4'-P energy: -74.687 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -49.700 tors. eta vs tors. theta energy: -23.127 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: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1775.302927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.302927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.302927 (E_RNA) where: Base-Base interactions energy: -1268.696 where: short stacking energy: -524.559 Base-Backbone interact. energy: -0.770 local terms energy: -505.837562 where: bonds (distance) C4'-P energy: -93.118 bonds (distance) P-C4' energy: -97.541 flat angles C4'-P-C4' energy: -105.155 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -145.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1622.154022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.154022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.154022 (E_RNA) where: Base-Base interactions energy: -1142.263 where: short stacking energy: -485.580 Base-Backbone interact. energy: 0.585 local terms energy: -480.475950 where: bonds (distance) C4'-P energy: -87.524 bonds (distance) P-C4' energy: -93.036 flat angles C4'-P-C4' energy: -106.039 flat angles P-C4'-P energy: -70.521 tors. eta vs tors. theta energy: -123.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1651.513462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.513462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.513462 (E_RNA) where: Base-Base interactions energy: -1157.454 where: short stacking energy: -499.352 Base-Backbone interact. energy: -4.923 local terms energy: -489.136649 where: bonds (distance) C4'-P energy: -83.574 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -107.673 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -140.824 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: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1456.187854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.187854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.187854 (E_RNA) where: Base-Base interactions energy: -1034.753 where: short stacking energy: -406.434 Base-Backbone interact. energy: -1.530 local terms energy: -419.904923 where: bonds (distance) C4'-P energy: -94.865 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -90.693 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -86.442 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: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1411.520224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.520224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.520224 (E_RNA) where: Base-Base interactions energy: -978.501 where: short stacking energy: -409.410 Base-Backbone interact. energy: -2.436 local terms energy: -430.582942 where: bonds (distance) C4'-P energy: -86.056 bonds (distance) P-C4' energy: -77.513 flat angles C4'-P-C4' energy: -82.528 flat angles P-C4'-P energy: -72.373 tors. eta vs tors. theta energy: -112.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1322.680281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.680281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.680281 (E_RNA) where: Base-Base interactions energy: -925.696 where: short stacking energy: -362.156 Base-Backbone interact. energy: 1.848 local terms energy: -398.832196 where: bonds (distance) C4'-P energy: -83.748 bonds (distance) P-C4' energy: -83.602 flat angles C4'-P-C4' energy: -85.041 flat angles P-C4'-P energy: -65.848 tors. eta vs tors. theta energy: -80.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1249.773301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.773301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.773301 (E_RNA) where: Base-Base interactions energy: -857.933 where: short stacking energy: -360.753 Base-Backbone interact. energy: -1.826 local terms energy: -390.014286 where: bonds (distance) C4'-P energy: -75.854 bonds (distance) P-C4' energy: -85.132 flat angles C4'-P-C4' energy: -90.904 flat angles P-C4'-P energy: -45.893 tors. eta vs tors. theta energy: -92.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1180.884645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.884645 (E_RNA) where: Base-Base interactions energy: -796.843 where: short stacking energy: -343.881 Base-Backbone interact. energy: -2.056 local terms energy: -381.985788 where: bonds (distance) C4'-P energy: -79.980 bonds (distance) P-C4' energy: -74.499 flat angles C4'-P-C4' energy: -93.106 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -84.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1031.420537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.420537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.420537 (E_RNA) where: Base-Base interactions energy: -679.615 where: short stacking energy: -281.300 Base-Backbone interact. energy: -1.310 local terms energy: -350.495281 where: bonds (distance) C4'-P energy: -86.879 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -89.182 flat angles P-C4'-P energy: -35.097 tors. eta vs tors. theta energy: -53.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -659.275577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.275577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.275577 (E_RNA) where: Base-Base interactions energy: -379.019 where: short stacking energy: -207.789 Base-Backbone interact. energy: -2.314 local terms energy: -277.942429 where: bonds (distance) C4'-P energy: -60.158 bonds (distance) P-C4' energy: -63.321 flat angles C4'-P-C4' energy: -80.259 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -25.814 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: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1747.089072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.089072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.089072 (E_RNA) where: Base-Base interactions energy: -1233.732 where: short stacking energy: -497.980 Base-Backbone interact. energy: -0.836 local terms energy: -512.521068 where: bonds (distance) C4'-P energy: -90.058 bonds (distance) P-C4' energy: -94.391 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -79.126 tors. eta vs tors. theta energy: -140.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1708.247179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.247179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.247179 (E_RNA) where: Base-Base interactions energy: -1227.754 where: short stacking energy: -484.250 Base-Backbone interact. energy: 3.858 local terms energy: -484.351265 where: bonds (distance) C4'-P energy: -84.754 bonds (distance) P-C4' energy: -80.814 flat angles C4'-P-C4' energy: -107.056 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -136.148 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: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1587.177220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.177220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.177220 (E_RNA) where: Base-Base interactions energy: -1124.664 where: short stacking energy: -447.417 Base-Backbone interact. energy: -0.531 local terms energy: -461.982990 where: bonds (distance) C4'-P energy: -84.316 bonds (distance) P-C4' energy: -88.367 flat angles C4'-P-C4' energy: -109.042 flat angles P-C4'-P energy: -68.625 tors. eta vs tors. theta energy: -111.634 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: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1457.340964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.340964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.340964 (E_RNA) where: Base-Base interactions energy: -1018.729 where: short stacking energy: -410.079 Base-Backbone interact. energy: -0.310 local terms energy: -438.301472 where: bonds (distance) C4'-P energy: -87.754 bonds (distance) P-C4' energy: -81.193 flat angles C4'-P-C4' energy: -102.858 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: -101.051 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: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1409.405696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.405696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.405696 (E_RNA) where: Base-Base interactions energy: -998.426 where: short stacking energy: -402.943 Base-Backbone interact. energy: -2.625 local terms energy: -408.354587 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -76.178 flat angles C4'-P-C4' energy: -90.347 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -95.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1293.164233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.164233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.164233 (E_RNA) where: Base-Base interactions energy: -877.225 where: short stacking energy: -371.649 Base-Backbone interact. energy: -0.624 local terms energy: -415.315219 where: bonds (distance) C4'-P energy: -90.444 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -98.566 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: -90.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1191.385534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.385534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.385534 (E_RNA) where: Base-Base interactions energy: -792.102 where: short stacking energy: -326.834 Base-Backbone interact. energy: -1.684 local terms energy: -397.599371 where: bonds (distance) C4'-P energy: -81.579 bonds (distance) P-C4' energy: -87.014 flat angles C4'-P-C4' energy: -97.704 flat angles P-C4'-P energy: -57.972 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: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1129.918169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.918169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.918169 (E_RNA) where: Base-Base interactions energy: -752.134 where: short stacking energy: -332.080 Base-Backbone interact. energy: 0.105 local terms energy: -377.889662 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -83.099 flat angles C4'-P-C4' energy: -88.043 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -70.512 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: 435 Temperature: 1.300000 Total energy: -1051.910326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.910326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.910326 (E_RNA) where: Base-Base interactions energy: -706.518 where: short stacking energy: -305.065 Base-Backbone interact. energy: -2.417 local terms energy: -342.975093 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -73.662 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -66.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -666.824223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.824223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.824223 (E_RNA) where: Base-Base interactions energy: -390.957 where: short stacking energy: -190.341 Base-Backbone interact. energy: 0.864 local terms energy: -276.731333 where: bonds (distance) C4'-P energy: -72.450 bonds (distance) P-C4' energy: -75.787 flat angles C4'-P-C4' energy: -68.816 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -13.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1778.573946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.573946 (E_RNA) where: Base-Base interactions energy: -1274.350 where: short stacking energy: -508.987 Base-Backbone interact. energy: -1.595 local terms energy: -502.628660 where: bonds (distance) C4'-P energy: -92.660 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -98.567 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -146.990 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: 2, replica: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1669.554380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.554380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.554380 (E_RNA) where: Base-Base interactions energy: -1171.248 where: short stacking energy: -468.791 Base-Backbone interact. energy: -5.003 local terms energy: -493.303242 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -90.809 flat angles C4'-P-C4' energy: -112.766 flat angles P-C4'-P energy: -63.418 tors. eta vs tors. theta energy: -132.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1578.478466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.478466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.478466 (E_RNA) where: Base-Base interactions energy: -1109.439 where: short stacking energy: -430.131 Base-Backbone interact. energy: -2.094 local terms energy: -466.945845 where: bonds (distance) C4'-P energy: -85.037 bonds (distance) P-C4' energy: -93.043 flat angles C4'-P-C4' energy: -103.574 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -118.539 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: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1433.248771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.248771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.248771 (E_RNA) where: Base-Base interactions energy: -985.095 where: short stacking energy: -419.478 Base-Backbone interact. energy: -2.443 local terms energy: -445.710459 where: bonds (distance) C4'-P energy: -81.404 bonds (distance) P-C4' energy: -97.656 flat angles C4'-P-C4' energy: -94.791 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: -106.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1459.483911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.483911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.483911 (E_RNA) where: Base-Base interactions energy: -1018.323 where: short stacking energy: -411.222 Base-Backbone interact. energy: -1.617 local terms energy: -439.544138 where: bonds (distance) C4'-P energy: -83.083 bonds (distance) P-C4' energy: -81.946 flat angles C4'-P-C4' energy: -103.346 flat angles P-C4'-P energy: -68.851 tors. eta vs tors. theta energy: -102.319 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: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1299.108532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.108532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.108532 (E_RNA) where: Base-Base interactions energy: -892.339 where: short stacking energy: -375.773 Base-Backbone interact. energy: -2.599 local terms energy: -404.170608 where: bonds (distance) C4'-P energy: -76.016 bonds (distance) P-C4' energy: -80.104 flat angles C4'-P-C4' energy: -96.033 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -97.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1180.984317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.984317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.984317 (E_RNA) where: Base-Base interactions energy: -785.060 where: short stacking energy: -333.589 Base-Backbone interact. energy: -1.571 local terms energy: -394.353526 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -95.962 flat angles C4'-P-C4' energy: -82.146 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: -82.723 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: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1143.196872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.196872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.196872 (E_RNA) where: Base-Base interactions energy: -788.413 where: short stacking energy: -337.181 Base-Backbone interact. energy: -3.038 local terms energy: -351.745409 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -68.939 flat angles C4'-P-C4' energy: -90.572 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -68.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1108.390121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.390121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.390121 (E_RNA) where: Base-Base interactions energy: -779.556 where: short stacking energy: -330.048 Base-Backbone interact. energy: -0.212 local terms energy: -328.622041 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -69.591 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -70.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -608.234589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.234589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.234589 (E_RNA) where: Base-Base interactions energy: -314.669 where: short stacking energy: -182.062 Base-Backbone interact. energy: 1.417 local terms energy: -294.982743 where: bonds (distance) C4'-P energy: -90.481 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -70.059 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -7.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1790.775906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.775906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.775906 (E_RNA) where: Base-Base interactions energy: -1271.466 where: short stacking energy: -526.099 Base-Backbone interact. energy: -0.281 local terms energy: -519.028620 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -108.655 flat angles P-C4'-P energy: -81.112 tors. eta vs tors. theta energy: -154.242 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: 437 Temperature: 0.950000 Total energy: -1684.996934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.996934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.996934 (E_RNA) where: Base-Base interactions energy: -1185.339 where: short stacking energy: -472.425 Base-Backbone interact. energy: -2.390 local terms energy: -497.268492 where: bonds (distance) C4'-P energy: -88.931 bonds (distance) P-C4' energy: -96.415 flat angles C4'-P-C4' energy: -113.631 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -137.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1603.185561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.185561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.185561 (E_RNA) where: Base-Base interactions energy: -1133.147 where: short stacking energy: -458.417 Base-Backbone interact. energy: -2.715 local terms energy: -467.322981 where: bonds (distance) C4'-P energy: -83.295 bonds (distance) P-C4' energy: -91.593 flat angles C4'-P-C4' energy: -104.169 flat angles P-C4'-P energy: -69.671 tors. eta vs tors. theta energy: -118.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1427.219709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.219709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.219709 (E_RNA) where: Base-Base interactions energy: -995.428 where: short stacking energy: -405.834 Base-Backbone interact. energy: 1.283 local terms energy: -433.074023 where: bonds (distance) C4'-P energy: -81.714 bonds (distance) P-C4' energy: -80.906 flat angles C4'-P-C4' energy: -101.895 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -99.732 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: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1395.031018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.031018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.031018 (E_RNA) where: Base-Base interactions energy: -971.035 where: short stacking energy: -393.459 Base-Backbone interact. energy: -0.196 local terms energy: -423.799965 where: bonds (distance) C4'-P energy: -68.337 bonds (distance) P-C4' energy: -92.062 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -61.333 tors. eta vs tors. theta energy: -99.701 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: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1304.178907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.178907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.178907 (E_RNA) where: Base-Base interactions energy: -889.389 where: short stacking energy: -389.519 Base-Backbone interact. energy: 7.821 local terms energy: -422.610136 where: bonds (distance) C4'-P energy: -88.065 bonds (distance) P-C4' energy: -87.593 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: -97.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1183.785891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.785891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.785891 (E_RNA) where: Base-Base interactions energy: -789.307 where: short stacking energy: -333.188 Base-Backbone interact. energy: 6.580 local terms energy: -401.058900 where: bonds (distance) C4'-P energy: -79.770 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -92.177 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -81.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1151.573443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.573443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.573443 (E_RNA) where: Base-Base interactions energy: -812.335 where: short stacking energy: -333.692 Base-Backbone interact. energy: 0.543 local terms energy: -339.781760 where: bonds (distance) C4'-P energy: -63.187 bonds (distance) P-C4' energy: -82.572 flat angles C4'-P-C4' energy: -88.012 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: -57.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1083.562231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.562231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.562231 (E_RNA) where: Base-Base interactions energy: -732.223 where: short stacking energy: -311.670 Base-Backbone interact. energy: 0.994 local terms energy: -352.333189 where: bonds (distance) C4'-P energy: -66.333 bonds (distance) P-C4' energy: -73.297 flat angles C4'-P-C4' energy: -84.038 flat angles P-C4'-P energy: -61.450 tors. eta vs tors. theta energy: -67.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -565.396902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.396902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.396902 (E_RNA) where: Base-Base interactions energy: -314.502 where: short stacking energy: -163.514 Base-Backbone interact. energy: 0.624 local terms energy: -251.519452 where: bonds (distance) C4'-P energy: -71.089 bonds (distance) P-C4' energy: -83.120 flat angles C4'-P-C4' energy: -54.807 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: 6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1772.760897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.760897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.760897 (E_RNA) where: Base-Base interactions energy: -1257.727 where: short stacking energy: -538.711 Base-Backbone interact. energy: 1.294 local terms energy: -516.327963 where: bonds (distance) C4'-P energy: -90.729 bonds (distance) P-C4' energy: -89.657 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -76.599 tors. eta vs tors. theta energy: -151.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1728.884710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.884710 (E_RNA) where: Base-Base interactions energy: -1235.999 where: short stacking energy: -488.841 Base-Backbone interact. energy: -3.059 local terms energy: -489.826749 where: bonds (distance) C4'-P energy: -89.064 bonds (distance) P-C4' energy: -80.358 flat angles C4'-P-C4' energy: -105.298 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -143.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1602.541327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.541327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.541327 (E_RNA) where: Base-Base interactions energy: -1130.755 where: short stacking energy: -464.506 Base-Backbone interact. energy: -2.838 local terms energy: -468.948464 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -79.457 flat angles C4'-P-C4' energy: -107.038 flat angles P-C4'-P energy: -67.424 tors. eta vs tors. theta energy: -127.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1469.416671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.416671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.416671 (E_RNA) where: Base-Base interactions energy: -1017.553 where: short stacking energy: -404.251 Base-Backbone interact. energy: 0.646 local terms energy: -452.510260 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -98.602 flat angles C4'-P-C4' energy: -106.833 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -101.733 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1400.143821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.143821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.143821 (E_RNA) where: Base-Base interactions energy: -966.859 where: short stacking energy: -379.241 Base-Backbone interact. energy: -0.301 local terms energy: -432.984355 where: bonds (distance) C4'-P energy: -83.004 bonds (distance) P-C4' energy: -87.615 flat angles C4'-P-C4' energy: -89.652 flat angles P-C4'-P energy: -70.289 tors. eta vs tors. theta energy: -102.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1307.036534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.036534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.036534 (E_RNA) where: Base-Base interactions energy: -886.514 where: short stacking energy: -397.573 Base-Backbone interact. energy: -2.751 local terms energy: -417.771711 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -83.043 flat angles C4'-P-C4' energy: -91.881 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -108.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1224.197237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.197237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.197237 (E_RNA) where: Base-Base interactions energy: -836.112 where: short stacking energy: -352.643 Base-Backbone interact. energy: 2.722 local terms energy: -390.806629 where: bonds (distance) C4'-P energy: -87.074 bonds (distance) P-C4' energy: -70.857 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -50.039 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: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1133.507111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.507111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.507111 (E_RNA) where: Base-Base interactions energy: -764.637 where: short stacking energy: -334.985 Base-Backbone interact. energy: -1.880 local terms energy: -366.989415 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -82.058 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -63.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1070.064821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.064821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.064821 (E_RNA) where: Base-Base interactions energy: -693.658 where: short stacking energy: -302.842 Base-Backbone interact. energy: -1.328 local terms energy: -375.079006 where: bonds (distance) C4'-P energy: -78.895 bonds (distance) P-C4' energy: -95.531 flat angles C4'-P-C4' energy: -82.056 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: -60.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -566.978220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.978220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.978220 (E_RNA) where: Base-Base interactions energy: -289.138 where: short stacking energy: -159.330 Base-Backbone interact. energy: -2.022 local terms energy: -275.817916 where: bonds (distance) C4'-P energy: -71.383 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -71.746 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1788.891183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.891183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.891183 (E_RNA) where: Base-Base interactions energy: -1247.789 where: short stacking energy: -500.368 Base-Backbone interact. energy: 0.879 local terms energy: -541.981349 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -101.890 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -77.151 tors. eta vs tors. theta energy: -150.380 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: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1700.222389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.222389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.222389 (E_RNA) where: Base-Base interactions energy: -1211.535 where: short stacking energy: -476.217 Base-Backbone interact. energy: -3.834 local terms energy: -484.852956 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -79.686 flat angles C4'-P-C4' energy: -107.952 flat angles P-C4'-P energy: -69.000 tors. eta vs tors. theta energy: -136.305 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: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1616.377000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.377000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.377000 (E_RNA) where: Base-Base interactions energy: -1108.460 where: short stacking energy: -463.628 Base-Backbone interact. energy: -3.665 local terms energy: -504.252693 where: bonds (distance) C4'-P energy: -94.887 bonds (distance) P-C4' energy: -98.833 flat angles C4'-P-C4' energy: -106.052 flat angles P-C4'-P energy: -83.052 tors. eta vs tors. theta energy: -121.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1494.920577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.920577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.920577 (E_RNA) where: Base-Base interactions energy: -1061.335 where: short stacking energy: -398.807 Base-Backbone interact. energy: -1.287 local terms energy: -432.297820 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -92.301 flat angles C4'-P-C4' energy: -96.933 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -91.147 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: 439 Temperature: 1.100000 Total energy: -1408.408081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.408081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.408081 (E_RNA) where: Base-Base interactions energy: -1008.246 where: short stacking energy: -425.754 Base-Backbone interact. energy: -0.568 local terms energy: -399.593829 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -66.700 flat angles C4'-P-C4' energy: -99.277 flat angles P-C4'-P energy: -43.928 tors. eta vs tors. theta energy: -106.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1286.132906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.132906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.132906 (E_RNA) where: Base-Base interactions energy: -874.840 where: short stacking energy: -367.884 Base-Backbone interact. energy: -0.377 local terms energy: -410.916171 where: bonds (distance) C4'-P energy: -83.184 bonds (distance) P-C4' energy: -92.491 flat angles C4'-P-C4' energy: -91.851 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -85.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1160.957411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.957411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.957411 (E_RNA) where: Base-Base interactions energy: -785.553 where: short stacking energy: -326.750 Base-Backbone interact. energy: -1.542 local terms energy: -373.862631 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -78.044 flat angles C4'-P-C4' energy: -91.132 flat angles P-C4'-P energy: -56.077 tors. eta vs tors. theta energy: -67.525 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1154.974402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.974402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.974402 (E_RNA) where: Base-Base interactions energy: -775.007 where: short stacking energy: -343.308 Base-Backbone interact. energy: 1.048 local terms energy: -381.015708 where: bonds (distance) C4'-P energy: -84.085 bonds (distance) P-C4' energy: -75.513 flat angles C4'-P-C4' energy: -88.064 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -79.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1112.108420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.108420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.108420 (E_RNA) where: Base-Base interactions energy: -755.868 where: short stacking energy: -320.875 Base-Backbone interact. energy: -1.485 local terms energy: -354.755340 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -81.699 flat angles C4'-P-C4' energy: -62.476 flat angles P-C4'-P energy: -53.849 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: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -587.337774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.337774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.337774 (E_RNA) where: Base-Base interactions energy: -306.832 where: short stacking energy: -180.550 Base-Backbone interact. energy: 0.072 local terms energy: -280.577650 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -81.462 flat angles C4'-P-C4' energy: -72.538 flat angles P-C4'-P energy: -46.823 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1776.587297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.587297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.587297 (E_RNA) where: Base-Base interactions energy: -1268.690 where: short stacking energy: -517.388 Base-Backbone interact. energy: -4.496 local terms energy: -503.401144 where: bonds (distance) C4'-P energy: -92.696 bonds (distance) P-C4' energy: -94.055 flat angles C4'-P-C4' energy: -99.882 flat angles P-C4'-P energy: -75.352 tors. eta vs tors. theta energy: -141.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1672.556229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.556229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.556229 (E_RNA) where: Base-Base interactions energy: -1190.242 where: short stacking energy: -483.619 Base-Backbone interact. energy: -4.434 local terms energy: -477.880046 where: bonds (distance) C4'-P energy: -96.720 bonds (distance) P-C4' energy: -87.181 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -64.496 tors. eta vs tors. theta energy: -126.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1610.824053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.824053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.824053 (E_RNA) where: Base-Base interactions energy: -1146.682 where: short stacking energy: -463.095 Base-Backbone interact. energy: 4.736 local terms energy: -468.878740 where: bonds (distance) C4'-P energy: -78.689 bonds (distance) P-C4' energy: -91.050 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -122.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1470.806401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.806401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.806401 (E_RNA) where: Base-Base interactions energy: -1001.714 where: short stacking energy: -389.817 Base-Backbone interact. energy: -1.322 local terms energy: -467.769931 where: bonds (distance) C4'-P energy: -93.339 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -107.755 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: -96.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1410.205755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.205755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.205755 (E_RNA) where: Base-Base interactions energy: -991.128 where: short stacking energy: -396.800 Base-Backbone interact. energy: -4.958 local terms energy: -414.119158 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -93.094 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -66.629 tors. eta vs tors. theta energy: -100.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1309.977953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.977953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.977953 (E_RNA) where: Base-Base interactions energy: -906.807 where: short stacking energy: -391.837 Base-Backbone interact. energy: -1.843 local terms energy: -401.328150 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -60.836 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: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1176.165504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.165504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.165504 (E_RNA) where: Base-Base interactions energy: -798.702 where: short stacking energy: -358.569 Base-Backbone interact. energy: -0.131 local terms energy: -377.332555 where: bonds (distance) C4'-P energy: -87.383 bonds (distance) P-C4' energy: -74.405 flat angles C4'-P-C4' energy: -77.023 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -83.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1173.296881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.296881 (E_RNA) where: Base-Base interactions energy: -772.437 where: short stacking energy: -332.108 Base-Backbone interact. energy: -2.474 local terms energy: -398.385497 where: bonds (distance) C4'-P energy: -76.356 bonds (distance) P-C4' energy: -94.191 flat angles C4'-P-C4' energy: -82.014 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: -81.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1069.508387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.508387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.508387 (E_RNA) where: Base-Base interactions energy: -700.384 where: short stacking energy: -299.925 Base-Backbone interact. energy: -2.733 local terms energy: -366.391378 where: bonds (distance) C4'-P energy: -71.794 bonds (distance) P-C4' energy: -92.712 flat angles C4'-P-C4' energy: -78.203 flat angles P-C4'-P energy: -58.473 tors. eta vs tors. theta energy: -65.209 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: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -554.462676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.462676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.462676 (E_RNA) where: Base-Base interactions energy: -306.771 where: short stacking energy: -196.659 Base-Backbone interact. energy: -1.283 local terms energy: -246.409086 where: bonds (distance) C4'-P energy: -64.701 bonds (distance) P-C4' energy: -54.577 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -34.563 tors. eta vs tors. theta energy: -17.201 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: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1759.679600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.679600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.679600 (E_RNA) where: Base-Base interactions energy: -1224.461 where: short stacking energy: -522.437 Base-Backbone interact. energy: -2.654 local terms energy: -532.564189 where: bonds (distance) C4'-P energy: -100.402 bonds (distance) P-C4' energy: -94.935 flat angles C4'-P-C4' energy: -111.180 flat angles P-C4'-P energy: -78.085 tors. eta vs tors. theta energy: -147.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1652.525106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.525106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.525106 (E_RNA) where: Base-Base interactions energy: -1156.316 where: short stacking energy: -478.671 Base-Backbone interact. energy: 2.627 local terms energy: -498.836016 where: bonds (distance) C4'-P energy: -88.979 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -108.952 flat angles P-C4'-P energy: -73.453 tors. eta vs tors. theta energy: -129.713 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1625.423981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.423981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.423981 (E_RNA) where: Base-Base interactions energy: -1138.784 where: short stacking energy: -461.441 Base-Backbone interact. energy: -4.959 local terms energy: -481.680689 where: bonds (distance) C4'-P energy: -78.129 bonds (distance) P-C4' energy: -95.201 flat angles C4'-P-C4' energy: -99.708 flat angles P-C4'-P energy: -80.997 tors. eta vs tors. theta energy: -127.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1482.563419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.563419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.563419 (E_RNA) where: Base-Base interactions energy: -1055.513 where: short stacking energy: -384.820 Base-Backbone interact. energy: -3.831 local terms energy: -423.218533 where: bonds (distance) C4'-P energy: -80.758 bonds (distance) P-C4' energy: -78.196 flat angles C4'-P-C4' energy: -100.979 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -94.704 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: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1403.148366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.148366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.148366 (E_RNA) where: Base-Base interactions energy: -1002.259 where: short stacking energy: -386.832 Base-Backbone interact. energy: -1.727 local terms energy: -399.162503 where: bonds (distance) C4'-P energy: -88.865 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -79.813 flat angles P-C4'-P energy: -50.030 tors. eta vs tors. theta energy: -86.568 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: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1272.411491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.411491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.411491 (E_RNA) where: Base-Base interactions energy: -889.948 where: short stacking energy: -360.957 Base-Backbone interact. energy: -0.326 local terms energy: -382.138025 where: bonds (distance) C4'-P energy: -78.934 bonds (distance) P-C4' energy: -83.047 flat angles C4'-P-C4' energy: -87.425 flat angles P-C4'-P energy: -55.387 tors. eta vs tors. theta energy: -77.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1238.783309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.783309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.783309 (E_RNA) where: Base-Base interactions energy: -828.014 where: short stacking energy: -382.638 Base-Backbone interact. energy: -2.053 local terms energy: -408.716632 where: bonds (distance) C4'-P energy: -90.744 bonds (distance) P-C4' energy: -75.073 flat angles C4'-P-C4' energy: -87.461 flat angles P-C4'-P energy: -55.836 tors. eta vs tors. theta energy: -99.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1156.104380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.104380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.104380 (E_RNA) where: Base-Base interactions energy: -767.407 where: short stacking energy: -342.986 Base-Backbone interact. energy: -1.030 local terms energy: -387.667153 where: bonds (distance) C4'-P energy: -81.859 bonds (distance) P-C4' energy: -78.281 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -74.817 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: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -986.035433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.035433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.035433 (E_RNA) where: Base-Base interactions energy: -661.327 where: short stacking energy: -268.928 Base-Backbone interact. energy: -0.314 local terms energy: -324.394914 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -87.237 flat angles C4'-P-C4' energy: -76.500 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -50.222 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: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -566.298450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.298450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.298450 (E_RNA) where: Base-Base interactions energy: -276.429 where: short stacking energy: -158.126 Base-Backbone interact. energy: -1.093 local terms energy: -288.776753 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -92.599 flat angles C4'-P-C4' energy: -84.106 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -2.748 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: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1747.474783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.474783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.474783 (E_RNA) where: Base-Base interactions energy: -1229.812 where: short stacking energy: -530.332 Base-Backbone interact. energy: 6.432 local terms energy: -524.094611 where: bonds (distance) C4'-P energy: -87.591 bonds (distance) P-C4' energy: -107.368 flat angles C4'-P-C4' energy: -101.582 flat angles P-C4'-P energy: -80.290 tors. eta vs tors. theta energy: -147.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1667.781445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.781445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.781445 (E_RNA) where: Base-Base interactions energy: -1167.672 where: short stacking energy: -463.544 Base-Backbone interact. energy: -4.183 local terms energy: -495.926806 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -93.757 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -130.798 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: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1631.245448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.245448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.245448 (E_RNA) where: Base-Base interactions energy: -1139.105 where: short stacking energy: -451.646 Base-Backbone interact. energy: -4.872 local terms energy: -487.267661 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -62.921 tors. eta vs tors. theta energy: -128.857 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: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1513.780411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.780411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.780411 (E_RNA) where: Base-Base interactions energy: -1065.040 where: short stacking energy: -416.240 Base-Backbone interact. energy: 0.058 local terms energy: -448.798782 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -86.637 flat angles C4'-P-C4' energy: -109.526 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -108.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1422.905401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.905401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.905401 (E_RNA) where: Base-Base interactions energy: -994.192 where: short stacking energy: -398.718 Base-Backbone interact. energy: -1.251 local terms energy: -427.462436 where: bonds (distance) C4'-P energy: -88.690 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -93.648 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -102.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1275.702221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.702221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.702221 (E_RNA) where: Base-Base interactions energy: -866.552 where: short stacking energy: -364.416 Base-Backbone interact. energy: -1.494 local terms energy: -407.656389 where: bonds (distance) C4'-P energy: -85.662 bonds (distance) P-C4' energy: -82.834 flat angles C4'-P-C4' energy: -84.676 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -86.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1238.801578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.801578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.801578 (E_RNA) where: Base-Base interactions energy: -843.787 where: short stacking energy: -363.792 Base-Backbone interact. energy: -3.584 local terms energy: -391.431465 where: bonds (distance) C4'-P energy: -69.538 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -89.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1110.754861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.754861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.754861 (E_RNA) where: Base-Base interactions energy: -740.715 where: short stacking energy: -311.743 Base-Backbone interact. energy: -2.584 local terms energy: -367.456003 where: bonds (distance) C4'-P energy: -72.953 bonds (distance) P-C4' energy: -76.828 flat angles C4'-P-C4' energy: -90.746 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -80.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1074.274827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.274827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.274827 (E_RNA) where: Base-Base interactions energy: -725.566 where: short stacking energy: -329.750 Base-Backbone interact. energy: 4.700 local terms energy: -353.408185 where: bonds (distance) C4'-P energy: -73.995 bonds (distance) P-C4' energy: -70.418 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -70.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -534.624342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.624342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.624342 (E_RNA) where: Base-Base interactions energy: -265.974 where: short stacking energy: -153.614 Base-Backbone interact. energy: 0.369 local terms energy: -269.018949 where: bonds (distance) C4'-P energy: -84.139 bonds (distance) P-C4' energy: -102.946 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: 4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1763.455389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.455389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.455389 (E_RNA) where: Base-Base interactions energy: -1235.746 where: short stacking energy: -538.196 Base-Backbone interact. energy: -4.588 local terms energy: -523.120907 where: bonds (distance) C4'-P energy: -95.035 bonds (distance) P-C4' energy: -99.039 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -146.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1709.585447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.585447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.585447 (E_RNA) where: Base-Base interactions energy: -1191.165 where: short stacking energy: -491.892 Base-Backbone interact. energy: -3.127 local terms energy: -515.293770 where: bonds (distance) C4'-P energy: -94.756 bonds (distance) P-C4' energy: -101.936 flat angles C4'-P-C4' energy: -103.252 flat angles P-C4'-P energy: -73.814 tors. eta vs tors. theta energy: -141.535 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: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1616.668356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.668356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.668356 (E_RNA) where: Base-Base interactions energy: -1138.809 where: short stacking energy: -453.275 Base-Backbone interact. energy: 0.068 local terms energy: -477.927795 where: bonds (distance) C4'-P energy: -96.762 bonds (distance) P-C4' energy: -86.930 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -123.757 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: 443 Temperature: 1.050000 Total energy: -1497.909369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.909369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.909369 (E_RNA) where: Base-Base interactions energy: -1067.195 where: short stacking energy: -406.928 Base-Backbone interact. energy: 0.197 local terms energy: -430.910662 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -90.880 flat angles C4'-P-C4' energy: -94.380 flat angles P-C4'-P energy: -60.292 tors. eta vs tors. theta energy: -102.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1423.126666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.126666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.126666 (E_RNA) where: Base-Base interactions energy: -984.663 where: short stacking energy: -406.156 Base-Backbone interact. energy: -3.189 local terms energy: -435.275147 where: bonds (distance) C4'-P energy: -81.760 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -90.768 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -107.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1248.056138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.056138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.056138 (E_RNA) where: Base-Base interactions energy: -847.072 where: short stacking energy: -382.935 Base-Backbone interact. energy: -1.506 local terms energy: -399.478102 where: bonds (distance) C4'-P energy: -77.983 bonds (distance) P-C4' energy: -79.789 flat angles C4'-P-C4' energy: -85.943 flat angles P-C4'-P energy: -53.064 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: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1223.348156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.348156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.348156 (E_RNA) where: Base-Base interactions energy: -842.909 where: short stacking energy: -339.222 Base-Backbone interact. energy: -3.075 local terms energy: -377.363968 where: bonds (distance) C4'-P energy: -81.366 bonds (distance) P-C4' energy: -71.163 flat angles C4'-P-C4' energy: -87.940 flat angles P-C4'-P energy: -61.007 tors. eta vs tors. theta energy: -75.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1113.814092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.814092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.814092 (E_RNA) where: Base-Base interactions energy: -746.449 where: short stacking energy: -321.068 Base-Backbone interact. energy: -1.026 local terms energy: -366.339611 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -83.912 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -85.117 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: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1094.402802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.402802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.402802 (E_RNA) where: Base-Base interactions energy: -747.471 where: short stacking energy: -320.699 Base-Backbone interact. energy: -2.330 local terms energy: -344.601237 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -57.730 tors. eta vs tors. theta energy: -62.575 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: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -520.443962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.443962 (E_RNA) where: Base-Base interactions energy: -261.017 where: short stacking energy: -133.782 Base-Backbone interact. energy: 7.594 local terms energy: -267.021421 where: bonds (distance) C4'-P energy: -87.917 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -64.024 flat angles P-C4'-P energy: -43.911 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: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1765.242729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.242729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.242729 (E_RNA) where: Base-Base interactions energy: -1242.165 where: short stacking energy: -511.790 Base-Backbone interact. energy: -4.251 local terms energy: -518.826901 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -101.977 flat angles C4'-P-C4' energy: -110.031 flat angles P-C4'-P energy: -81.606 tors. eta vs tors. theta energy: -142.002 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: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1659.764517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.764517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.764517 (E_RNA) where: Base-Base interactions energy: -1166.667 where: short stacking energy: -469.982 Base-Backbone interact. energy: 1.380 local terms energy: -494.477694 where: bonds (distance) C4'-P energy: -92.555 bonds (distance) P-C4' energy: -96.683 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -128.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1625.883875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.883875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.883875 (E_RNA) where: Base-Base interactions energy: -1172.078 where: short stacking energy: -455.492 Base-Backbone interact. energy: -3.370 local terms energy: -450.435909 where: bonds (distance) C4'-P energy: -80.863 bonds (distance) P-C4' energy: -78.317 flat angles C4'-P-C4' energy: -99.544 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -121.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1583.413486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.413486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.413486 (E_RNA) where: Base-Base interactions energy: -1093.759 where: short stacking energy: -463.043 Base-Backbone interact. energy: -1.720 local terms energy: -487.934557 where: bonds (distance) C4'-P energy: -94.462 bonds (distance) P-C4' energy: -91.700 flat angles C4'-P-C4' energy: -99.662 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -130.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1412.688793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.688793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.688793 (E_RNA) where: Base-Base interactions energy: -1024.719 where: short stacking energy: -407.096 Base-Backbone interact. energy: -2.086 local terms energy: -385.883832 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -85.505 flat angles P-C4'-P energy: -44.047 tors. eta vs tors. theta energy: -101.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1260.297571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.297571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.297571 (E_RNA) where: Base-Base interactions energy: -850.529 where: short stacking energy: -383.929 Base-Backbone interact. energy: 2.043 local terms energy: -411.811133 where: bonds (distance) C4'-P energy: -81.232 bonds (distance) P-C4' energy: -79.457 flat angles C4'-P-C4' energy: -85.714 flat angles P-C4'-P energy: -63.575 tors. eta vs tors. theta energy: -101.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1231.329651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.329651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.329651 (E_RNA) where: Base-Base interactions energy: -839.259 where: short stacking energy: -347.029 Base-Backbone interact. energy: -2.886 local terms energy: -389.184126 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -60.829 tors. eta vs tors. theta energy: -89.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1093.411570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.411570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.411570 (E_RNA) where: Base-Base interactions energy: -729.763 where: short stacking energy: -314.949 Base-Backbone interact. energy: -0.518 local terms energy: -363.130699 where: bonds (distance) C4'-P energy: -74.901 bonds (distance) P-C4' energy: -88.706 flat angles C4'-P-C4' energy: -78.174 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -71.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1186.013956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.013956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.013956 (E_RNA) where: Base-Base interactions energy: -799.008 where: short stacking energy: -329.080 Base-Backbone interact. energy: -3.330 local terms energy: -383.675529 where: bonds (distance) C4'-P energy: -85.327 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -50.945 tors. eta vs tors. theta energy: -84.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -529.503600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.503600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.503600 (E_RNA) where: Base-Base interactions energy: -268.089 where: short stacking energy: -156.418 Base-Backbone interact. energy: -1.795 local terms energy: -259.619124 where: bonds (distance) C4'-P energy: -75.021 bonds (distance) P-C4' energy: -87.236 flat angles C4'-P-C4' energy: -62.549 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1772.713400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.713400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.713400 (E_RNA) where: Base-Base interactions energy: -1260.848 where: short stacking energy: -520.366 Base-Backbone interact. energy: -4.001 local terms energy: -507.864431 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -92.438 flat angles C4'-P-C4' energy: -102.037 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -147.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1670.917918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.917918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.917918 (E_RNA) where: Base-Base interactions energy: -1187.175 where: short stacking energy: -479.746 Base-Backbone interact. energy: -2.793 local terms energy: -480.949786 where: bonds (distance) C4'-P energy: -93.446 bonds (distance) P-C4' energy: -93.480 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -130.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1585.969169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.969169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.969169 (E_RNA) where: Base-Base interactions energy: -1135.657 where: short stacking energy: -442.004 Base-Backbone interact. energy: 1.483 local terms energy: -451.795560 where: bonds (distance) C4'-P energy: -84.124 bonds (distance) P-C4' energy: -93.220 flat angles C4'-P-C4' energy: -106.106 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -103.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1598.449496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.449496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.449496 (E_RNA) where: Base-Base interactions energy: -1123.073 where: short stacking energy: -463.818 Base-Backbone interact. energy: -2.952 local terms energy: -472.424312 where: bonds (distance) C4'-P energy: -90.569 bonds (distance) P-C4' energy: -89.508 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -134.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1404.678093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.678093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.678093 (E_RNA) where: Base-Base interactions energy: -971.540 where: short stacking energy: -404.680 Base-Backbone interact. energy: 0.821 local terms energy: -433.958987 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -86.457 flat angles C4'-P-C4' energy: -88.555 flat angles P-C4'-P energy: -62.219 tors. eta vs tors. theta energy: -102.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1260.439904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.439904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.439904 (E_RNA) where: Base-Base interactions energy: -866.586 where: short stacking energy: -385.317 Base-Backbone interact. energy: -3.116 local terms energy: -390.737965 where: bonds (distance) C4'-P energy: -81.356 bonds (distance) P-C4' energy: -88.262 flat angles C4'-P-C4' energy: -76.722 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: -96.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1265.392523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.392523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.392523 (E_RNA) where: Base-Base interactions energy: -878.983 where: short stacking energy: -368.094 Base-Backbone interact. energy: -1.252 local terms energy: -385.157207 where: bonds (distance) C4'-P energy: -52.376 bonds (distance) P-C4' energy: -99.424 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -94.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1115.841951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.841951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.841951 (E_RNA) where: Base-Base interactions energy: -727.350 where: short stacking energy: -304.728 Base-Backbone interact. energy: -0.684 local terms energy: -387.807449 where: bonds (distance) C4'-P energy: -78.622 bonds (distance) P-C4' energy: -91.127 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -70.449 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: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1086.412732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.412732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.412732 (E_RNA) where: Base-Base interactions energy: -734.598 where: short stacking energy: -305.961 Base-Backbone interact. energy: -2.244 local terms energy: -349.570618 where: bonds (distance) C4'-P energy: -80.684 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -68.108 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: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -495.604507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.604507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.604507 (E_RNA) where: Base-Base interactions energy: -236.819 where: short stacking energy: -137.546 Base-Backbone interact. energy: -0.048 local terms energy: -258.738132 where: bonds (distance) C4'-P energy: -75.880 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -70.997 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: 11.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1766.638155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.638155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.638155 (E_RNA) where: Base-Base interactions energy: -1251.119 where: short stacking energy: -502.807 Base-Backbone interact. energy: 0.424 local terms energy: -515.943374 where: bonds (distance) C4'-P energy: -101.048 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -108.916 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -145.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1646.545605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.545605 (E_RNA) where: Base-Base interactions energy: -1159.822 where: short stacking energy: -463.830 Base-Backbone interact. energy: 0.159 local terms energy: -486.882104 where: bonds (distance) C4'-P energy: -72.765 bonds (distance) P-C4' energy: -95.357 flat angles C4'-P-C4' energy: -112.449 flat angles P-C4'-P energy: -82.846 tors. eta vs tors. theta energy: -123.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1654.440715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.440715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.440715 (E_RNA) where: Base-Base interactions energy: -1151.968 where: short stacking energy: -474.072 Base-Backbone interact. energy: -2.501 local terms energy: -499.972028 where: bonds (distance) C4'-P energy: -77.335 bonds (distance) P-C4' energy: -103.643 flat angles C4'-P-C4' energy: -108.078 flat angles P-C4'-P energy: -74.220 tors. eta vs tors. theta energy: -136.695 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: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1533.919360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.919360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.919360 (E_RNA) where: Base-Base interactions energy: -1070.819 where: short stacking energy: -425.450 Base-Backbone interact. energy: -1.955 local terms energy: -461.145526 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -95.331 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -108.373 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: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1441.945480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.945480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.945480 (E_RNA) where: Base-Base interactions energy: -1017.883 where: short stacking energy: -404.600 Base-Backbone interact. energy: -1.735 local terms energy: -422.327427 where: bonds (distance) C4'-P energy: -88.666 bonds (distance) P-C4' energy: -74.835 flat angles C4'-P-C4' energy: -95.147 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -101.013 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: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1236.678439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.678439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.678439 (E_RNA) where: Base-Base interactions energy: -831.079 where: short stacking energy: -348.256 Base-Backbone interact. energy: -0.145 local terms energy: -405.453992 where: bonds (distance) C4'-P energy: -80.849 bonds (distance) P-C4' energy: -85.049 flat angles C4'-P-C4' energy: -96.814 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -82.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1256.044567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.044567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.044567 (E_RNA) where: Base-Base interactions energy: -880.522 where: short stacking energy: -354.769 Base-Backbone interact. energy: -2.575 local terms energy: -372.948030 where: bonds (distance) C4'-P energy: -76.770 bonds (distance) P-C4' energy: -79.625 flat angles C4'-P-C4' energy: -83.992 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -83.820 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: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1142.841446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.841446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.841446 (E_RNA) where: Base-Base interactions energy: -753.168 where: short stacking energy: -329.357 Base-Backbone interact. energy: 0.858 local terms energy: -390.530901 where: bonds (distance) C4'-P energy: -73.741 bonds (distance) P-C4' energy: -81.874 flat angles C4'-P-C4' energy: -83.461 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -86.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1044.298011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.298011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.298011 (E_RNA) where: Base-Base interactions energy: -682.924 where: short stacking energy: -286.737 Base-Backbone interact. energy: -0.042 local terms energy: -361.331350 where: bonds (distance) C4'-P energy: -83.130 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -63.504 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: -64.271 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: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -526.226822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.226822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.226822 (E_RNA) where: Base-Base interactions energy: -252.092 where: short stacking energy: -145.449 Base-Backbone interact. energy: -0.563 local terms energy: -273.571653 where: bonds (distance) C4'-P energy: -63.001 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -64.977 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -28.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1770.043494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.043494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.043494 (E_RNA) where: Base-Base interactions energy: -1240.609 where: short stacking energy: -495.223 Base-Backbone interact. energy: -1.266 local terms energy: -528.168484 where: bonds (distance) C4'-P energy: -96.222 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -104.867 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -148.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1650.467395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.467395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.467395 (E_RNA) where: Base-Base interactions energy: -1136.685 where: short stacking energy: -490.752 Base-Backbone interact. energy: -4.579 local terms energy: -509.203690 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -111.537 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -135.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1621.076752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.076752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.076752 (E_RNA) where: Base-Base interactions energy: -1144.058 where: short stacking energy: -456.481 Base-Backbone interact. energy: -0.269 local terms energy: -476.749956 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -88.879 flat angles C4'-P-C4' energy: -108.045 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: -119.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1531.110735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.110735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.110735 (E_RNA) where: Base-Base interactions energy: -1099.325 where: short stacking energy: -429.085 Base-Backbone interact. energy: -2.808 local terms energy: -428.977504 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -84.741 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -62.315 tors. eta vs tors. theta energy: -102.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1445.967443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.967443 (E_RNA) where: Base-Base interactions energy: -1023.542 where: short stacking energy: -417.915 Base-Backbone interact. energy: -0.165 local terms energy: -422.260767 where: bonds (distance) C4'-P energy: -83.231 bonds (distance) P-C4' energy: -90.901 flat angles C4'-P-C4' energy: -96.286 flat angles P-C4'-P energy: -47.012 tors. eta vs tors. theta energy: -104.831 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: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1309.177372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.177372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.177372 (E_RNA) where: Base-Base interactions energy: -901.495 where: short stacking energy: -381.546 Base-Backbone interact. energy: -1.983 local terms energy: -405.699364 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -85.535 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -104.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1190.870501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.870501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.870501 (E_RNA) where: Base-Base interactions energy: -799.154 where: short stacking energy: -343.746 Base-Backbone interact. energy: 1.901 local terms energy: -393.618205 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -87.442 flat angles C4'-P-C4' energy: -89.548 flat angles P-C4'-P energy: -61.264 tors. eta vs tors. theta energy: -80.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1139.019903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.019903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.019903 (E_RNA) where: Base-Base interactions energy: -770.280 where: short stacking energy: -333.136 Base-Backbone interact. energy: 0.262 local terms energy: -369.001384 where: bonds (distance) C4'-P energy: -74.997 bonds (distance) P-C4' energy: -85.758 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: -78.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1055.226452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.226452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.226452 (E_RNA) where: Base-Base interactions energy: -707.006 where: short stacking energy: -278.717 Base-Backbone interact. energy: 0.041 local terms energy: -348.261274 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -80.959 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -54.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -483.481271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.481271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.481271 (E_RNA) where: Base-Base interactions energy: -206.355 where: short stacking energy: -128.715 Base-Backbone interact. energy: 2.655 local terms energy: -279.781943 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -87.770 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1774.464838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.464838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.464838 (E_RNA) where: Base-Base interactions energy: -1251.903 where: short stacking energy: -496.206 Base-Backbone interact. energy: -1.691 local terms energy: -520.870514 where: bonds (distance) C4'-P energy: -103.907 bonds (distance) P-C4' energy: -95.587 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -69.853 tors. eta vs tors. theta energy: -139.051 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: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1641.538426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.538426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.538426 (E_RNA) where: Base-Base interactions energy: -1157.938 where: short stacking energy: -468.735 Base-Backbone interact. energy: -0.770 local terms energy: -482.831260 where: bonds (distance) C4'-P energy: -83.590 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -104.054 flat angles P-C4'-P energy: -68.915 tors. eta vs tors. theta energy: -131.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1629.098232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.098232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.098232 (E_RNA) where: Base-Base interactions energy: -1148.270 where: short stacking energy: -475.284 Base-Backbone interact. energy: -1.838 local terms energy: -478.990564 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -96.642 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -126.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1542.997845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.997845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.997845 (E_RNA) where: Base-Base interactions energy: -1089.572 where: short stacking energy: -440.874 Base-Backbone interact. energy: -2.718 local terms energy: -450.708233 where: bonds (distance) C4'-P energy: -87.370 bonds (distance) P-C4' energy: -87.530 flat angles C4'-P-C4' energy: -102.517 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -105.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1405.602611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.602611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.602611 (E_RNA) where: Base-Base interactions energy: -981.200 where: short stacking energy: -398.307 Base-Backbone interact. energy: -2.352 local terms energy: -422.050404 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -90.650 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -98.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1282.487022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.487022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.487022 (E_RNA) where: Base-Base interactions energy: -860.273 where: short stacking energy: -376.705 Base-Backbone interact. energy: 1.517 local terms energy: -423.730784 where: bonds (distance) C4'-P energy: -75.204 bonds (distance) P-C4' energy: -97.388 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -67.562 tors. eta vs tors. theta energy: -90.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1188.044638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.044638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.044638 (E_RNA) where: Base-Base interactions energy: -796.724 where: short stacking energy: -353.925 Base-Backbone interact. energy: 2.938 local terms energy: -394.258192 where: bonds (distance) C4'-P energy: -74.395 bonds (distance) P-C4' energy: -91.092 flat angles C4'-P-C4' energy: -90.255 flat angles P-C4'-P energy: -61.630 tors. eta vs tors. theta energy: -76.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1147.767225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.767225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.767225 (E_RNA) where: Base-Base interactions energy: -785.810 where: short stacking energy: -331.806 Base-Backbone interact. energy: -1.937 local terms energy: -360.019636 where: bonds (distance) C4'-P energy: -82.643 bonds (distance) P-C4' energy: -83.311 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -73.705 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: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1076.721918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.721918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.721918 (E_RNA) where: Base-Base interactions energy: -731.089 where: short stacking energy: -322.080 Base-Backbone interact. energy: -0.739 local terms energy: -344.893477 where: bonds (distance) C4'-P energy: -65.590 bonds (distance) P-C4' energy: -81.255 flat angles C4'-P-C4' energy: -81.887 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -64.187 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: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -481.963080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.963080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.963080 (E_RNA) where: Base-Base interactions energy: -225.587 where: short stacking energy: -143.118 Base-Backbone interact. energy: 6.618 local terms energy: -262.994075 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -86.835 flat angles C4'-P-C4' energy: -69.309 flat angles P-C4'-P energy: -22.601 tors. eta vs tors. theta energy: 3.825 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: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1783.887254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.887254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.887254 (E_RNA) where: Base-Base interactions energy: -1253.965 where: short stacking energy: -519.034 Base-Backbone interact. energy: -4.845 local terms energy: -525.077593 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -97.389 flat angles C4'-P-C4' energy: -107.706 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -150.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1675.454499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.454499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.454499 (E_RNA) where: Base-Base interactions energy: -1185.664 where: short stacking energy: -492.244 Base-Backbone interact. energy: -2.275 local terms energy: -487.515574 where: bonds (distance) C4'-P energy: -89.732 bonds (distance) P-C4' energy: -91.463 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -131.324 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: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1607.610235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.610235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.610235 (E_RNA) where: Base-Base interactions energy: -1131.171 where: short stacking energy: -455.336 Base-Backbone interact. energy: -2.486 local terms energy: -473.953348 where: bonds (distance) C4'-P energy: -82.034 bonds (distance) P-C4' energy: -96.434 flat angles C4'-P-C4' energy: -103.160 flat angles P-C4'-P energy: -71.946 tors. eta vs tors. theta energy: -120.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1521.619822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.619822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.619822 (E_RNA) where: Base-Base interactions energy: -1071.629 where: short stacking energy: -424.326 Base-Backbone interact. energy: -7.090 local terms energy: -442.900794 where: bonds (distance) C4'-P energy: -84.157 bonds (distance) P-C4' energy: -86.015 flat angles C4'-P-C4' energy: -101.286 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -107.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1457.956293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.956293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.956293 (E_RNA) where: Base-Base interactions energy: -1008.132 where: short stacking energy: -418.810 Base-Backbone interact. energy: 3.976 local terms energy: -453.800333 where: bonds (distance) C4'-P energy: -97.871 bonds (distance) P-C4' energy: -90.849 flat angles C4'-P-C4' energy: -100.768 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -107.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1283.461628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.461628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.461628 (E_RNA) where: Base-Base interactions energy: -890.893 where: short stacking energy: -377.950 Base-Backbone interact. energy: -1.185 local terms energy: -391.383535 where: bonds (distance) C4'-P energy: -73.571 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -61.952 tors. eta vs tors. theta energy: -91.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1198.808539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.808539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.808539 (E_RNA) where: Base-Base interactions energy: -843.062 where: short stacking energy: -379.969 Base-Backbone interact. energy: 2.950 local terms energy: -358.696394 where: bonds (distance) C4'-P energy: -80.674 bonds (distance) P-C4' energy: -74.065 flat angles C4'-P-C4' energy: -84.657 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -89.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1141.094498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.094498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.094498 (E_RNA) where: Base-Base interactions energy: -778.868 where: short stacking energy: -333.898 Base-Backbone interact. energy: -2.197 local terms energy: -360.029970 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -78.743 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -53.987 tors. eta vs tors. theta energy: -87.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1039.705586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.705586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.705586 (E_RNA) where: Base-Base interactions energy: -717.142 where: short stacking energy: -309.072 Base-Backbone interact. energy: 2.250 local terms energy: -324.813621 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -65.991 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -67.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -475.659501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.659501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.659501 (E_RNA) where: Base-Base interactions energy: -220.076 where: short stacking energy: -129.470 Base-Backbone interact. energy: -0.326 local terms energy: -255.257028 where: bonds (distance) C4'-P energy: -72.879 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -81.319 flat angles P-C4'-P energy: -36.272 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: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1782.783980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.783980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.783980 (E_RNA) where: Base-Base interactions energy: -1251.721 where: short stacking energy: -510.068 Base-Backbone interact. energy: -2.616 local terms energy: -528.447189 where: bonds (distance) C4'-P energy: -109.831 bonds (distance) P-C4' energy: -93.555 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -70.372 tors. eta vs tors. theta energy: -148.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1668.234501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.234501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.234501 (E_RNA) where: Base-Base interactions energy: -1164.382 where: short stacking energy: -489.076 Base-Backbone interact. energy: -0.492 local terms energy: -503.360886 where: bonds (distance) C4'-P energy: -100.163 bonds (distance) P-C4' energy: -84.824 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -71.582 tors. eta vs tors. theta energy: -146.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1621.986134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.986134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.986134 (E_RNA) where: Base-Base interactions energy: -1164.241 where: short stacking energy: -462.309 Base-Backbone interact. energy: -3.698 local terms energy: -454.046891 where: bonds (distance) C4'-P energy: -87.234 bonds (distance) P-C4' energy: -84.069 flat angles C4'-P-C4' energy: -106.886 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -116.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1558.347277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.347277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.347277 (E_RNA) where: Base-Base interactions energy: -1117.434 where: short stacking energy: -425.255 Base-Backbone interact. energy: 1.616 local terms energy: -442.529662 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -90.370 flat angles C4'-P-C4' energy: -104.286 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: -106.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1465.469173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.469173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.469173 (E_RNA) where: Base-Base interactions energy: -1021.701 where: short stacking energy: -408.082 Base-Backbone interact. energy: -4.770 local terms energy: -438.997990 where: bonds (distance) C4'-P energy: -84.495 bonds (distance) P-C4' energy: -95.126 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -62.327 tors. eta vs tors. theta energy: -103.694 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1302.317896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.317896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.317896 (E_RNA) where: Base-Base interactions energy: -884.216 where: short stacking energy: -384.556 Base-Backbone interact. energy: 0.528 local terms energy: -418.629555 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -90.280 flat angles C4'-P-C4' energy: -90.517 flat angles P-C4'-P energy: -52.999 tors. eta vs tors. theta energy: -91.767 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: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1208.480831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.480831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.480831 (E_RNA) where: Base-Base interactions energy: -835.651 where: short stacking energy: -371.638 Base-Backbone interact. energy: 0.606 local terms energy: -373.435228 where: bonds (distance) C4'-P energy: -69.825 bonds (distance) P-C4' energy: -79.821 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -43.376 tors. eta vs tors. theta energy: -96.256 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: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1109.348915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.348915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.348915 (E_RNA) where: Base-Base interactions energy: -718.276 where: short stacking energy: -302.868 Base-Backbone interact. energy: 0.678 local terms energy: -391.751420 where: bonds (distance) C4'-P energy: -81.172 bonds (distance) P-C4' energy: -90.009 flat angles C4'-P-C4' energy: -83.974 flat angles P-C4'-P energy: -64.042 tors. eta vs tors. theta energy: -72.554 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: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1004.922529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.922529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.922529 (E_RNA) where: Base-Base interactions energy: -673.911 where: short stacking energy: -288.275 Base-Backbone interact. energy: -2.568 local terms energy: -328.443513 where: bonds (distance) C4'-P energy: -68.570 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -82.060 flat angles P-C4'-P energy: -45.648 tors. eta vs tors. theta energy: -64.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -503.831706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.831706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.831706 (E_RNA) where: Base-Base interactions energy: -242.070 where: short stacking energy: -131.169 Base-Backbone interact. energy: 4.860 local terms energy: -266.621882 where: bonds (distance) C4'-P energy: -75.593 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -42.127 tors. eta vs tors. theta energy: 11.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1764.371543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.371543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.371543 (E_RNA) where: Base-Base interactions energy: -1245.545 where: short stacking energy: -519.899 Base-Backbone interact. energy: -2.662 local terms energy: -516.163776 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -86.123 flat angles C4'-P-C4' energy: -111.185 flat angles P-C4'-P energy: -74.527 tors. eta vs tors. theta energy: -146.086 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: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1700.433974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.433974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.433974 (E_RNA) where: Base-Base interactions energy: -1188.484 where: short stacking energy: -491.290 Base-Backbone interact. energy: -1.595 local terms energy: -510.355287 where: bonds (distance) C4'-P energy: -99.244 bonds (distance) P-C4' energy: -95.681 flat angles C4'-P-C4' energy: -100.439 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -144.428 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: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1615.118648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.118648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.118648 (E_RNA) where: Base-Base interactions energy: -1158.793 where: short stacking energy: -470.908 Base-Backbone interact. energy: -3.146 local terms energy: -453.179728 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -60.623 tors. eta vs tors. theta energy: -126.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1500.254774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.254774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.254774 (E_RNA) where: Base-Base interactions energy: -1058.170 where: short stacking energy: -408.415 Base-Backbone interact. energy: -1.325 local terms energy: -440.759648 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -88.508 flat angles C4'-P-C4' energy: -100.092 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -105.782 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: 5, replica: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1489.463932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.463932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.463932 (E_RNA) where: Base-Base interactions energy: -1055.301 where: short stacking energy: -421.906 Base-Backbone interact. energy: -0.780 local terms energy: -433.382386 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -101.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1282.639887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.639887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.639887 (E_RNA) where: Base-Base interactions energy: -871.462 where: short stacking energy: -402.210 Base-Backbone interact. energy: 1.071 local terms energy: -412.248535 where: bonds (distance) C4'-P energy: -82.820 bonds (distance) P-C4' energy: -82.900 flat angles C4'-P-C4' energy: -88.584 flat angles P-C4'-P energy: -60.758 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: 7, replica: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1239.815971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.815971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.815971 (E_RNA) where: Base-Base interactions energy: -820.604 where: short stacking energy: -360.746 Base-Backbone interact. energy: -1.043 local terms energy: -418.169149 where: bonds (distance) C4'-P energy: -78.454 bonds (distance) P-C4' energy: -96.564 flat angles C4'-P-C4' energy: -97.576 flat angles P-C4'-P energy: -40.214 tors. eta vs tors. theta energy: -105.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1158.300293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.300293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.300293 (E_RNA) where: Base-Base interactions energy: -780.210 where: short stacking energy: -349.264 Base-Backbone interact. energy: -1.634 local terms energy: -376.456124 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -80.354 flat angles C4'-P-C4' energy: -91.261 flat angles P-C4'-P energy: -49.396 tors. eta vs tors. theta energy: -89.706 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: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1049.494123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.494123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.494123 (E_RNA) where: Base-Base interactions energy: -684.890 where: short stacking energy: -273.223 Base-Backbone interact. energy: 1.967 local terms energy: -366.571691 where: bonds (distance) C4'-P energy: -80.540 bonds (distance) P-C4' energy: -86.459 flat angles C4'-P-C4' energy: -84.042 flat angles P-C4'-P energy: -59.406 tors. eta vs tors. theta energy: -56.126 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: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -490.374604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.374604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.374604 (E_RNA) where: Base-Base interactions energy: -226.843 where: short stacking energy: -126.728 Base-Backbone interact. energy: -2.038 local terms energy: -261.493814 where: bonds (distance) C4'-P energy: -77.339 bonds (distance) P-C4' energy: -86.653 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: 9.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1764.245369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.245369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.245369 (E_RNA) where: Base-Base interactions energy: -1247.526 where: short stacking energy: -525.301 Base-Backbone interact. energy: -0.604 local terms energy: -516.115210 where: bonds (distance) C4'-P energy: -87.663 bonds (distance) P-C4' energy: -92.478 flat angles C4'-P-C4' energy: -112.267 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -147.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1693.137637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.137637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.137637 (E_RNA) where: Base-Base interactions energy: -1186.364 where: short stacking energy: -471.526 Base-Backbone interact. energy: -3.018 local terms energy: -503.755764 where: bonds (distance) C4'-P energy: -88.802 bonds (distance) P-C4' energy: -98.021 flat angles C4'-P-C4' energy: -114.198 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -131.236 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: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1621.454835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.454835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.454835 (E_RNA) where: Base-Base interactions energy: -1151.792 where: short stacking energy: -459.720 Base-Backbone interact. energy: 0.544 local terms energy: -470.207736 where: bonds (distance) C4'-P energy: -94.329 bonds (distance) P-C4' energy: -83.641 flat angles C4'-P-C4' energy: -95.958 flat angles P-C4'-P energy: -70.519 tors. eta vs tors. theta energy: -125.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1484.362481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.362481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.362481 (E_RNA) where: Base-Base interactions energy: -1050.859 where: short stacking energy: -423.757 Base-Backbone interact. energy: -3.098 local terms energy: -430.406201 where: bonds (distance) C4'-P energy: -86.573 bonds (distance) P-C4' energy: -90.508 flat angles C4'-P-C4' energy: -97.892 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -105.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1485.825374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.825374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.825374 (E_RNA) where: Base-Base interactions energy: -1046.377 where: short stacking energy: -420.508 Base-Backbone interact. energy: 3.394 local terms energy: -442.842576 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -105.107 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: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1269.989336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.989336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.989336 (E_RNA) where: Base-Base interactions energy: -887.615 where: short stacking energy: -368.744 Base-Backbone interact. energy: -0.716 local terms energy: -381.658247 where: bonds (distance) C4'-P energy: -81.705 bonds (distance) P-C4' energy: -78.041 flat angles C4'-P-C4' energy: -77.707 flat angles P-C4'-P energy: -55.713 tors. eta vs tors. theta energy: -88.493 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: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1237.044542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.044542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.044542 (E_RNA) where: Base-Base interactions energy: -829.068 where: short stacking energy: -348.868 Base-Backbone interact. energy: 1.206 local terms energy: -409.182581 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -79.551 flat angles C4'-P-C4' energy: -81.748 flat angles P-C4'-P energy: -61.503 tors. eta vs tors. theta energy: -101.931 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: 452 Temperature: 1.250000 Total energy: -1169.672859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.672859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.672859 (E_RNA) where: Base-Base interactions energy: -801.371 where: short stacking energy: -347.080 Base-Backbone interact. energy: -1.733 local terms energy: -366.568624 where: bonds (distance) C4'-P energy: -64.673 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -75.500 flat angles P-C4'-P energy: -60.303 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: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1125.307913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.307913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.307913 (E_RNA) where: Base-Base interactions energy: -755.874 where: short stacking energy: -326.823 Base-Backbone interact. energy: -1.301 local terms energy: -368.133123 where: bonds (distance) C4'-P energy: -65.626 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -91.910 flat angles P-C4'-P energy: -56.760 tors. eta vs tors. theta energy: -79.965 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: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -503.202314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.202314 (E_RNA) where: Base-Base interactions energy: -233.933 where: short stacking energy: -148.228 Base-Backbone interact. energy: -0.431 local terms energy: -268.837565 where: bonds (distance) C4'-P energy: -73.760 bonds (distance) P-C4' energy: -67.056 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -16.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1776.933435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.933435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.933435 (E_RNA) where: Base-Base interactions energy: -1273.110 where: short stacking energy: -529.997 Base-Backbone interact. energy: 0.796 local terms energy: -504.618713 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -89.354 flat angles C4'-P-C4' energy: -97.903 flat angles P-C4'-P energy: -78.708 tors. eta vs tors. theta energy: -151.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1724.823812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.823812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.823812 (E_RNA) where: Base-Base interactions energy: -1214.933 where: short stacking energy: -498.767 Base-Backbone interact. energy: 7.661 local terms energy: -517.552133 where: bonds (distance) C4'-P energy: -101.936 bonds (distance) P-C4' energy: -98.727 flat angles C4'-P-C4' energy: -98.325 flat angles P-C4'-P energy: -83.080 tors. eta vs tors. theta energy: -135.484 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: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1640.260874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.260874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.260874 (E_RNA) where: Base-Base interactions energy: -1157.184 where: short stacking energy: -471.722 Base-Backbone interact. energy: 1.489 local terms energy: -484.565479 where: bonds (distance) C4'-P energy: -93.702 bonds (distance) P-C4' energy: -87.206 flat angles C4'-P-C4' energy: -107.998 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -126.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1507.801153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.801153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.801153 (E_RNA) where: Base-Base interactions energy: -1081.637 where: short stacking energy: -430.301 Base-Backbone interact. energy: -1.293 local terms energy: -424.871216 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -87.566 flat angles C4'-P-C4' energy: -103.159 flat angles P-C4'-P energy: -46.603 tors. eta vs tors. theta energy: -107.926 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: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1453.297509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.297509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.297509 (E_RNA) where: Base-Base interactions energy: -1009.244 where: short stacking energy: -408.467 Base-Backbone interact. energy: -3.680 local terms energy: -440.373645 where: bonds (distance) C4'-P energy: -81.563 bonds (distance) P-C4' energy: -84.584 flat angles C4'-P-C4' energy: -100.531 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -97.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1300.925891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.925891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.925891 (E_RNA) where: Base-Base interactions energy: -918.029 where: short stacking energy: -381.519 Base-Backbone interact. energy: -0.861 local terms energy: -382.035134 where: bonds (distance) C4'-P energy: -92.430 bonds (distance) P-C4' energy: -94.097 flat angles C4'-P-C4' energy: -77.586 flat angles P-C4'-P energy: -27.806 tors. eta vs tors. theta energy: -90.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1188.081254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.081254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.081254 (E_RNA) where: Base-Base interactions energy: -808.575 where: short stacking energy: -344.692 Base-Backbone interact. energy: -1.938 local terms energy: -377.567934 where: bonds (distance) C4'-P energy: -72.997 bonds (distance) P-C4' energy: -87.377 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -44.503 tors. eta vs tors. theta energy: -88.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1096.343596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.343596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.343596 (E_RNA) where: Base-Base interactions energy: -725.594 where: short stacking energy: -330.703 Base-Backbone interact. energy: -1.968 local terms energy: -368.781396 where: bonds (distance) C4'-P energy: -49.295 bonds (distance) P-C4' energy: -86.897 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -53.761 tors. eta vs tors. theta energy: -93.077 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: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1056.461243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.461243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.461243 (E_RNA) where: Base-Base interactions energy: -718.811 where: short stacking energy: -306.642 Base-Backbone interact. energy: -0.788 local terms energy: -336.862482 where: bonds (distance) C4'-P energy: -89.774 bonds (distance) P-C4' energy: -68.943 flat angles C4'-P-C4' energy: -74.600 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -62.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -491.696090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.696090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.696090 (E_RNA) where: Base-Base interactions energy: -232.059 where: short stacking energy: -158.077 Base-Backbone interact. energy: -0.257 local terms energy: -259.379418 where: bonds (distance) C4'-P energy: -72.520 bonds (distance) P-C4' energy: -71.705 flat angles C4'-P-C4' energy: -60.689 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1776.207547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.207547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.207547 (E_RNA) where: Base-Base interactions energy: -1266.071 where: short stacking energy: -522.764 Base-Backbone interact. energy: -0.400 local terms energy: -509.736405 where: bonds (distance) C4'-P energy: -97.095 bonds (distance) P-C4' energy: -91.842 flat angles C4'-P-C4' energy: -98.806 flat angles P-C4'-P energy: -75.058 tors. eta vs tors. theta energy: -146.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1673.197021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.197021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.197021 (E_RNA) where: Base-Base interactions energy: -1186.877 where: short stacking energy: -477.685 Base-Backbone interact. energy: 2.906 local terms energy: -489.226185 where: bonds (distance) C4'-P energy: -103.026 bonds (distance) P-C4' energy: -85.792 flat angles C4'-P-C4' energy: -106.872 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -135.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1619.337266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.337266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.337266 (E_RNA) where: Base-Base interactions energy: -1137.876 where: short stacking energy: -472.157 Base-Backbone interact. energy: -2.697 local terms energy: -478.764714 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -94.707 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -70.992 tors. eta vs tors. theta energy: -128.611 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: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1522.276276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.276276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.276276 (E_RNA) where: Base-Base interactions energy: -1058.828 where: short stacking energy: -436.237 Base-Backbone interact. energy: -2.203 local terms energy: -461.245274 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -94.173 flat angles P-C4'-P energy: -78.378 tors. eta vs tors. theta energy: -117.464 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1422.980872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.980872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.980872 (E_RNA) where: Base-Base interactions energy: -1009.150 where: short stacking energy: -421.332 Base-Backbone interact. energy: 1.045 local terms energy: -414.876761 where: bonds (distance) C4'-P energy: -79.003 bonds (distance) P-C4' energy: -84.735 flat angles C4'-P-C4' energy: -94.073 flat angles P-C4'-P energy: -45.193 tors. eta vs tors. theta energy: -111.871 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: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1319.393392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.393392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.393392 (E_RNA) where: Base-Base interactions energy: -930.482 where: short stacking energy: -394.972 Base-Backbone interact. energy: -3.683 local terms energy: -385.227691 where: bonds (distance) C4'-P energy: -76.665 bonds (distance) P-C4' energy: -77.720 flat angles C4'-P-C4' energy: -92.751 flat angles P-C4'-P energy: -47.680 tors. eta vs tors. theta energy: -90.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1213.661562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.661562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.661562 (E_RNA) where: Base-Base interactions energy: -818.803 where: short stacking energy: -357.939 Base-Backbone interact. energy: 2.148 local terms energy: -397.006357 where: bonds (distance) C4'-P energy: -78.938 bonds (distance) P-C4' energy: -93.087 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -49.900 tors. eta vs tors. theta energy: -89.922 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: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1093.681659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.681659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.681659 (E_RNA) where: Base-Base interactions energy: -735.672 where: short stacking energy: -304.755 Base-Backbone interact. energy: 4.251 local terms energy: -362.261175 where: bonds (distance) C4'-P energy: -87.101 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -86.452 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -64.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1075.409905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.409905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.409905 (E_RNA) where: Base-Base interactions energy: -695.396 where: short stacking energy: -304.320 Base-Backbone interact. energy: 5.705 local terms energy: -385.719045 where: bonds (distance) C4'-P energy: -88.070 bonds (distance) P-C4' energy: -86.583 flat angles C4'-P-C4' energy: -87.670 flat angles P-C4'-P energy: -45.896 tors. eta vs tors. theta energy: -77.500 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: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -523.519112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.519112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.519112 (E_RNA) where: Base-Base interactions energy: -253.933 where: short stacking energy: -164.233 Base-Backbone interact. energy: 7.232 local terms energy: -276.818323 where: bonds (distance) C4'-P energy: -75.085 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -0.151 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: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1774.931578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.931578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.931578 (E_RNA) where: Base-Base interactions energy: -1245.392 where: short stacking energy: -511.526 Base-Backbone interact. energy: -2.631 local terms energy: -526.908185 where: bonds (distance) C4'-P energy: -88.888 bonds (distance) P-C4' energy: -99.359 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -150.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1697.305733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.305733 (E_RNA) where: Base-Base interactions energy: -1194.869 where: short stacking energy: -488.868 Base-Backbone interact. energy: 0.017 local terms energy: -502.453048 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -94.039 flat angles C4'-P-C4' energy: -103.101 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -138.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1615.339804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.339804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.339804 (E_RNA) where: Base-Base interactions energy: -1144.358 where: short stacking energy: -483.690 Base-Backbone interact. energy: -1.483 local terms energy: -469.499182 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -104.048 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -125.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1482.051621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.051621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.051621 (E_RNA) where: Base-Base interactions energy: -1031.990 where: short stacking energy: -413.556 Base-Backbone interact. energy: -2.229 local terms energy: -447.832776 where: bonds (distance) C4'-P energy: -87.945 bonds (distance) P-C4' energy: -86.836 flat angles C4'-P-C4' energy: -100.048 flat angles P-C4'-P energy: -72.570 tors. eta vs tors. theta energy: -100.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1434.403381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.403381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.403381 (E_RNA) where: Base-Base interactions energy: -997.838 where: short stacking energy: -394.685 Base-Backbone interact. energy: 5.464 local terms energy: -442.029099 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -94.612 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -50.134 tors. eta vs tors. theta energy: -101.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1309.149109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.149109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.149109 (E_RNA) where: Base-Base interactions energy: -903.139 where: short stacking energy: -357.954 Base-Backbone interact. energy: -4.302 local terms energy: -401.707902 where: bonds (distance) C4'-P energy: -88.011 bonds (distance) P-C4' energy: -94.305 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: -74.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1186.554099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.554099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.554099 (E_RNA) where: Base-Base interactions energy: -775.043 where: short stacking energy: -336.255 Base-Backbone interact. energy: 2.949 local terms energy: -414.459795 where: bonds (distance) C4'-P energy: -77.808 bonds (distance) P-C4' energy: -90.425 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -80.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1108.769407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.769407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.769407 (E_RNA) where: Base-Base interactions energy: -755.162 where: short stacking energy: -313.650 Base-Backbone interact. energy: 1.766 local terms energy: -355.372759 where: bonds (distance) C4'-P energy: -69.689 bonds (distance) P-C4' energy: -86.118 flat angles C4'-P-C4' energy: -77.162 flat angles P-C4'-P energy: -60.797 tors. eta vs tors. theta energy: -61.606 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: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1135.396815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.396815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.396815 (E_RNA) where: Base-Base interactions energy: -781.467 where: short stacking energy: -314.243 Base-Backbone interact. energy: 0.085 local terms energy: -354.014477 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -75.397 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -58.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -497.881218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.881218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.881218 (E_RNA) where: Base-Base interactions energy: -253.690 where: short stacking energy: -149.650 Base-Backbone interact. energy: 0.588 local terms energy: -244.779268 where: bonds (distance) C4'-P energy: -79.725 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -35.290 tors. eta vs tors. theta energy: 7.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1774.867187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.867187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.867187 (E_RNA) where: Base-Base interactions energy: -1253.219 where: short stacking energy: -521.289 Base-Backbone interact. energy: -3.814 local terms energy: -517.834031 where: bonds (distance) C4'-P energy: -95.473 bonds (distance) P-C4' energy: -85.343 flat angles C4'-P-C4' energy: -104.582 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -150.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1676.494327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.494327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.494327 (E_RNA) where: Base-Base interactions energy: -1153.358 where: short stacking energy: -481.043 Base-Backbone interact. energy: -0.881 local terms energy: -522.255553 where: bonds (distance) C4'-P energy: -107.295 bonds (distance) P-C4' energy: -94.798 flat angles C4'-P-C4' energy: -104.528 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -142.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1635.264046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.264046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.264046 (E_RNA) where: Base-Base interactions energy: -1175.215 where: short stacking energy: -460.743 Base-Backbone interact. energy: -1.511 local terms energy: -458.538087 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -94.179 flat angles C4'-P-C4' energy: -101.945 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -123.730 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: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1541.790334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.790334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.790334 (E_RNA) where: Base-Base interactions energy: -1081.994 where: short stacking energy: -426.818 Base-Backbone interact. energy: -2.676 local terms energy: -457.120615 where: bonds (distance) C4'-P energy: -88.987 bonds (distance) P-C4' energy: -92.806 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -64.844 tors. eta vs tors. theta energy: -113.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1437.089789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.089789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.089789 (E_RNA) where: Base-Base interactions energy: -1018.721 where: short stacking energy: -418.069 Base-Backbone interact. energy: -2.224 local terms energy: -416.144798 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -87.542 flat angles C4'-P-C4' energy: -98.822 flat angles P-C4'-P energy: -54.614 tors. eta vs tors. theta energy: -103.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1312.617634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.617634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.617634 (E_RNA) where: Base-Base interactions energy: -896.798 where: short stacking energy: -375.350 Base-Backbone interact. energy: -0.970 local terms energy: -414.849724 where: bonds (distance) C4'-P energy: -75.741 bonds (distance) P-C4' energy: -81.450 flat angles C4'-P-C4' energy: -101.872 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -95.232 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: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1209.166575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.166575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.166575 (E_RNA) where: Base-Base interactions energy: -816.086 where: short stacking energy: -383.126 Base-Backbone interact. energy: 0.968 local terms energy: -394.048433 where: bonds (distance) C4'-P energy: -67.593 bonds (distance) P-C4' energy: -84.834 flat angles C4'-P-C4' energy: -93.353 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -87.748 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: 456 Temperature: 1.250000 Total energy: -1131.342125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.342125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.342125 (E_RNA) where: Base-Base interactions energy: -764.519 where: short stacking energy: -341.225 Base-Backbone interact. energy: -0.729 local terms energy: -366.093382 where: bonds (distance) C4'-P energy: -75.126 bonds (distance) P-C4' energy: -73.882 flat angles C4'-P-C4' energy: -85.755 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -82.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1131.407783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.407783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.407783 (E_RNA) where: Base-Base interactions energy: -757.382 where: short stacking energy: -313.238 Base-Backbone interact. energy: -1.878 local terms energy: -372.147945 where: bonds (distance) C4'-P energy: -87.448 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -86.260 flat angles P-C4'-P energy: -54.842 tors. eta vs tors. theta energy: -62.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -567.288230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.288230 (E_RNA) where: Base-Base interactions energy: -305.382 where: short stacking energy: -170.799 Base-Backbone interact. energy: -3.353 local terms energy: -258.553117 where: bonds (distance) C4'-P energy: -70.958 bonds (distance) P-C4' energy: -65.199 flat angles C4'-P-C4' energy: -66.509 flat angles P-C4'-P energy: -42.422 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1767.295699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.295699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.295699 (E_RNA) where: Base-Base interactions energy: -1245.508 where: short stacking energy: -514.039 Base-Backbone interact. energy: -2.409 local terms energy: -519.378557 where: bonds (distance) C4'-P energy: -94.980 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -148.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1700.909440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.909440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.909440 (E_RNA) where: Base-Base interactions energy: -1196.474 where: short stacking energy: -493.304 Base-Backbone interact. energy: -8.626 local terms energy: -495.810138 where: bonds (distance) C4'-P energy: -90.332 bonds (distance) P-C4' energy: -99.080 flat angles C4'-P-C4' energy: -99.066 flat angles P-C4'-P energy: -69.643 tors. eta vs tors. theta energy: -137.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1618.393770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.393770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.393770 (E_RNA) where: Base-Base interactions energy: -1167.249 where: short stacking energy: -469.474 Base-Backbone interact. energy: 3.743 local terms energy: -454.888171 where: bonds (distance) C4'-P energy: -84.468 bonds (distance) P-C4' energy: -95.839 flat angles C4'-P-C4' energy: -108.143 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -116.883 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: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1512.002055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.002055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.002055 (E_RNA) where: Base-Base interactions energy: -1047.595 where: short stacking energy: -433.237 Base-Backbone interact. energy: -2.550 local terms energy: -461.857154 where: bonds (distance) C4'-P energy: -94.849 bonds (distance) P-C4' energy: -99.126 flat angles C4'-P-C4' energy: -93.978 flat angles P-C4'-P energy: -57.750 tors. eta vs tors. theta energy: -116.154 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: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1469.946404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.946404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.946404 (E_RNA) where: Base-Base interactions energy: -1035.656 where: short stacking energy: -427.243 Base-Backbone interact. energy: -1.864 local terms energy: -432.426801 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -59.967 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: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1234.216364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.216364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.216364 (E_RNA) where: Base-Base interactions energy: -821.314 where: short stacking energy: -385.597 Base-Backbone interact. energy: -2.375 local terms energy: -410.527462 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -89.460 flat angles C4'-P-C4' energy: -90.719 flat angles P-C4'-P energy: -67.073 tors. eta vs tors. theta energy: -96.814 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: 7, replica: 8 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1231.771407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.771407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.771407 (E_RNA) where: Base-Base interactions energy: -846.180 where: short stacking energy: -350.190 Base-Backbone interact. energy: 0.000 local terms energy: -385.592264 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -82.404 flat angles P-C4'-P energy: -59.224 tors. eta vs tors. theta energy: -85.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1164.953745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.953745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.953745 (E_RNA) where: Base-Base interactions energy: -804.881 where: short stacking energy: -335.052 Base-Backbone interact. energy: -2.405 local terms energy: -357.667664 where: bonds (distance) C4'-P energy: -64.921 bonds (distance) P-C4' energy: -79.212 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -51.902 tors. eta vs tors. theta energy: -75.178 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: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1055.258497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.258497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.258497 (E_RNA) where: Base-Base interactions energy: -711.533 where: short stacking energy: -327.021 Base-Backbone interact. energy: -1.126 local terms energy: -342.599479 where: bonds (distance) C4'-P energy: -74.657 bonds (distance) P-C4' energy: -79.684 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -72.905 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: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -614.704328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.704328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.704328 (E_RNA) where: Base-Base interactions energy: -339.508 where: short stacking energy: -187.820 Base-Backbone interact. energy: 0.650 local terms energy: -275.846824 where: bonds (distance) C4'-P energy: -74.509 bonds (distance) P-C4' energy: -83.001 flat angles C4'-P-C4' energy: -55.947 flat angles P-C4'-P energy: -50.188 tors. eta vs tors. theta energy: -12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1795.223899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.223899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.223899 (E_RNA) where: Base-Base interactions energy: -1253.323 where: short stacking energy: -494.701 Base-Backbone interact. energy: 0.213 local terms energy: -542.113718 where: bonds (distance) C4'-P energy: -101.945 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -112.446 flat angles P-C4'-P energy: -85.333 tors. eta vs tors. theta energy: -145.400 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: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1716.751435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.751435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.751435 (E_RNA) where: Base-Base interactions energy: -1226.131 where: short stacking energy: -493.189 Base-Backbone interact. energy: -2.790 local terms energy: -487.830126 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -86.275 flat angles C4'-P-C4' energy: -105.580 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: -143.532 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: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1624.100632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.100632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.100632 (E_RNA) where: Base-Base interactions energy: -1150.158 where: short stacking energy: -447.472 Base-Backbone interact. energy: -2.022 local terms energy: -471.920399 where: bonds (distance) C4'-P energy: -100.042 bonds (distance) P-C4' energy: -88.309 flat angles C4'-P-C4' energy: -103.136 flat angles P-C4'-P energy: -61.159 tors. eta vs tors. theta energy: -119.275 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: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1546.477825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.477825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.477825 (E_RNA) where: Base-Base interactions energy: -1095.021 where: short stacking energy: -449.551 Base-Backbone interact. energy: -2.318 local terms energy: -449.139268 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -86.961 flat angles C4'-P-C4' energy: -100.487 flat angles P-C4'-P energy: -61.068 tors. eta vs tors. theta energy: -116.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1457.327805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.327805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.327805 (E_RNA) where: Base-Base interactions energy: -1015.946 where: short stacking energy: -400.929 Base-Backbone interact. energy: 3.932 local terms energy: -445.314652 where: bonds (distance) C4'-P energy: -86.217 bonds (distance) P-C4' energy: -90.465 flat angles C4'-P-C4' energy: -96.779 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -106.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1256.480410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.480410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.480410 (E_RNA) where: Base-Base interactions energy: -857.713 where: short stacking energy: -380.208 Base-Backbone interact. energy: -1.961 local terms energy: -396.805822 where: bonds (distance) C4'-P energy: -90.876 bonds (distance) P-C4' energy: -78.664 flat angles C4'-P-C4' energy: -83.874 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -98.371 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1203.416083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.416083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.416083 (E_RNA) where: Base-Base interactions energy: -808.825 where: short stacking energy: -337.094 Base-Backbone interact. energy: -0.872 local terms energy: -393.718737 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -86.499 flat angles P-C4'-P energy: -51.092 tors. eta vs tors. theta energy: -74.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1186.016403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.016403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.016403 (E_RNA) where: Base-Base interactions energy: -801.102 where: short stacking energy: -340.341 Base-Backbone interact. energy: -2.890 local terms energy: -382.024013 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -92.126 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -78.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1107.376715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.376715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.376715 (E_RNA) where: Base-Base interactions energy: -758.804 where: short stacking energy: -322.310 Base-Backbone interact. energy: -3.451 local terms energy: -345.121930 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -72.597 flat angles C4'-P-C4' energy: -78.807 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -73.017 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: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -613.599050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.599050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.599050 (E_RNA) where: Base-Base interactions energy: -356.985 where: short stacking energy: -177.038 Base-Backbone interact. energy: -1.783 local terms energy: -254.831548 where: bonds (distance) C4'-P energy: -65.624 bonds (distance) P-C4' energy: -68.532 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -31.526 tors. eta vs tors. theta energy: -20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1772.533309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.533309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.533309 (E_RNA) where: Base-Base interactions energy: -1263.319 where: short stacking energy: -514.369 Base-Backbone interact. energy: -0.945 local terms energy: -508.269035 where: bonds (distance) C4'-P energy: -89.841 bonds (distance) P-C4' energy: -86.398 flat angles C4'-P-C4' energy: -107.371 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -151.617 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: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1744.127582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.127582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.127582 (E_RNA) where: Base-Base interactions energy: -1234.307 where: short stacking energy: -506.031 Base-Backbone interact. energy: -0.703 local terms energy: -509.117876 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -105.296 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -149.676 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: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1628.690867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.690867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.690867 (E_RNA) where: Base-Base interactions energy: -1157.180 where: short stacking energy: -456.536 Base-Backbone interact. energy: -0.090 local terms energy: -471.420266 where: bonds (distance) C4'-P energy: -88.033 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -97.192 flat angles P-C4'-P energy: -63.752 tors. eta vs tors. theta energy: -130.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1520.436316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.436316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.436316 (E_RNA) where: Base-Base interactions energy: -1083.766 where: short stacking energy: -415.916 Base-Backbone interact. energy: -0.314 local terms energy: -436.355669 where: bonds (distance) C4'-P energy: -81.393 bonds (distance) P-C4' energy: -97.791 flat angles C4'-P-C4' energy: -101.684 flat angles P-C4'-P energy: -54.216 tors. eta vs tors. theta energy: -101.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1443.567105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.567105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.567105 (E_RNA) where: Base-Base interactions energy: -993.867 where: short stacking energy: -395.186 Base-Backbone interact. energy: -1.299 local terms energy: -448.400199 where: bonds (distance) C4'-P energy: -85.313 bonds (distance) P-C4' energy: -94.402 flat angles C4'-P-C4' energy: -97.331 flat angles P-C4'-P energy: -70.908 tors. eta vs tors. theta energy: -100.445 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1301.237252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.237252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.237252 (E_RNA) where: Base-Base interactions energy: -881.741 where: short stacking energy: -398.956 Base-Backbone interact. energy: -1.219 local terms energy: -418.276814 where: bonds (distance) C4'-P energy: -76.992 bonds (distance) P-C4' energy: -78.077 flat angles C4'-P-C4' energy: -94.849 flat angles P-C4'-P energy: -68.325 tors. eta vs tors. theta energy: -100.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1243.706120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.706120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.706120 (E_RNA) where: Base-Base interactions energy: -851.385 where: short stacking energy: -369.664 Base-Backbone interact. energy: -5.281 local terms energy: -387.039593 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -70.404 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -96.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1202.950273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.950273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.950273 (E_RNA) where: Base-Base interactions energy: -869.446 where: short stacking energy: -371.739 Base-Backbone interact. energy: -0.909 local terms energy: -332.595604 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -67.523 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: -83.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1076.153655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.153655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.153655 (E_RNA) where: Base-Base interactions energy: -709.596 where: short stacking energy: -316.695 Base-Backbone interact. energy: -0.354 local terms energy: -366.203988 where: bonds (distance) C4'-P energy: -73.517 bonds (distance) P-C4' energy: -58.400 flat angles C4'-P-C4' energy: -91.226 flat angles P-C4'-P energy: -74.830 tors. eta vs tors. theta energy: -68.231 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: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -553.695219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.695219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.695219 (E_RNA) where: Base-Base interactions energy: -280.275 where: short stacking energy: -154.261 Base-Backbone interact. energy: -2.832 local terms energy: -270.588159 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -71.898 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: 8.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1768.049088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.049088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.049088 (E_RNA) where: Base-Base interactions energy: -1251.903 where: short stacking energy: -500.154 Base-Backbone interact. energy: -3.654 local terms energy: -512.492426 where: bonds (distance) C4'-P energy: -90.636 bonds (distance) P-C4' energy: -91.651 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -143.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1721.648737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.648737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.648737 (E_RNA) where: Base-Base interactions energy: -1198.333 where: short stacking energy: -519.830 Base-Backbone interact. energy: 2.532 local terms energy: -525.847753 where: bonds (distance) C4'-P energy: -92.550 bonds (distance) P-C4' energy: -92.507 flat angles C4'-P-C4' energy: -105.145 flat angles P-C4'-P energy: -84.728 tors. eta vs tors. theta energy: -150.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1621.698628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.698628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.698628 (E_RNA) where: Base-Base interactions energy: -1158.605 where: short stacking energy: -468.003 Base-Backbone interact. energy: 1.675 local terms energy: -464.768797 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -84.665 flat angles C4'-P-C4' energy: -96.150 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -126.022 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: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1545.580412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.580412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.580412 (E_RNA) where: Base-Base interactions energy: -1111.949 where: short stacking energy: -430.163 Base-Backbone interact. energy: 1.611 local terms energy: -435.242272 where: bonds (distance) C4'-P energy: -78.105 bonds (distance) P-C4' energy: -84.655 flat angles C4'-P-C4' energy: -97.795 flat angles P-C4'-P energy: -63.971 tors. eta vs tors. theta energy: -110.716 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: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1485.654532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.654532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.654532 (E_RNA) where: Base-Base interactions energy: -1023.193 where: short stacking energy: -414.931 Base-Backbone interact. energy: -0.797 local terms energy: -461.663836 where: bonds (distance) C4'-P energy: -79.663 bonds (distance) P-C4' energy: -98.032 flat angles C4'-P-C4' energy: -107.727 flat angles P-C4'-P energy: -59.291 tors. eta vs tors. theta energy: -116.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1272.802120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.802120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.802120 (E_RNA) where: Base-Base interactions energy: -869.917 where: short stacking energy: -357.398 Base-Backbone interact. energy: -1.738 local terms energy: -401.146481 where: bonds (distance) C4'-P energy: -71.939 bonds (distance) P-C4' energy: -83.995 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -90.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1255.589352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.589352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.589352 (E_RNA) where: Base-Base interactions energy: -872.892 where: short stacking energy: -367.465 Base-Backbone interact. energy: -0.552 local terms energy: -382.145583 where: bonds (distance) C4'-P energy: -71.978 bonds (distance) P-C4' energy: -87.534 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -81.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1188.490606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.490606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.490606 (E_RNA) where: Base-Base interactions energy: -816.692 where: short stacking energy: -340.145 Base-Backbone interact. energy: 0.454 local terms energy: -372.252830 where: bonds (distance) C4'-P energy: -75.597 bonds (distance) P-C4' energy: -81.852 flat angles C4'-P-C4' energy: -92.082 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -67.455 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: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1073.205412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.205412 (E_RNA) where: Base-Base interactions energy: -724.245 where: short stacking energy: -318.847 Base-Backbone interact. energy: -0.852 local terms energy: -348.108336 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -86.069 flat angles P-C4'-P energy: -43.327 tors. eta vs tors. theta energy: -68.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -586.901706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.901706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.901706 (E_RNA) where: Base-Base interactions energy: -298.845 where: short stacking energy: -152.089 Base-Backbone interact. energy: -1.508 local terms energy: -286.548084 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -79.776 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1772.490339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.490339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.490339 (E_RNA) where: Base-Base interactions energy: -1252.339 where: short stacking energy: -505.684 Base-Backbone interact. energy: -4.157 local terms energy: -515.994680 where: bonds (distance) C4'-P energy: -94.473 bonds (distance) P-C4' energy: -101.180 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -145.146 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: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1698.009106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.009106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.009106 (E_RNA) where: Base-Base interactions energy: -1175.775 where: short stacking energy: -479.604 Base-Backbone interact. energy: -1.021 local terms energy: -521.212750 where: bonds (distance) C4'-P energy: -101.880 bonds (distance) P-C4' energy: -110.680 flat angles C4'-P-C4' energy: -102.052 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -131.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1611.049958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.049958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.049958 (E_RNA) where: Base-Base interactions energy: -1126.684 where: short stacking energy: -440.790 Base-Backbone interact. energy: -1.426 local terms energy: -482.940268 where: bonds (distance) C4'-P energy: -79.731 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -100.244 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -125.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1538.397231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.397231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.397231 (E_RNA) where: Base-Base interactions energy: -1076.477 where: short stacking energy: -450.168 Base-Backbone interact. energy: -1.780 local terms energy: -460.140692 where: bonds (distance) C4'-P energy: -92.705 bonds (distance) P-C4' energy: -93.806 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -65.161 tors. eta vs tors. theta energy: -111.330 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: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1506.629223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.629223 (E_RNA) where: Base-Base interactions energy: -1041.950 where: short stacking energy: -447.142 Base-Backbone interact. energy: -1.406 local terms energy: -463.273073 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -84.322 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -132.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1267.332852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.332852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.332852 (E_RNA) where: Base-Base interactions energy: -852.900 where: short stacking energy: -364.448 Base-Backbone interact. energy: -0.902 local terms energy: -413.531289 where: bonds (distance) C4'-P energy: -82.920 bonds (distance) P-C4' energy: -88.084 flat angles C4'-P-C4' energy: -78.676 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -94.513 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: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1213.761937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.761937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.761937 (E_RNA) where: Base-Base interactions energy: -834.758 where: short stacking energy: -338.573 Base-Backbone interact. energy: -1.188 local terms energy: -377.816298 where: bonds (distance) C4'-P energy: -78.643 bonds (distance) P-C4' energy: -85.721 flat angles C4'-P-C4' energy: -90.917 flat angles P-C4'-P energy: -58.282 tors. eta vs tors. theta energy: -64.253 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: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1162.140961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.140961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.140961 (E_RNA) where: Base-Base interactions energy: -768.860 where: short stacking energy: -343.732 Base-Backbone interact. energy: -2.731 local terms energy: -390.550427 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -84.670 flat angles C4'-P-C4' energy: -80.340 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -88.113 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: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1009.397284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.397284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.397284 (E_RNA) where: Base-Base interactions energy: -646.725 where: short stacking energy: -295.858 Base-Backbone interact. energy: -0.143 local terms energy: -362.529659 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -95.127 flat angles C4'-P-C4' energy: -77.884 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -72.585 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: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -551.007059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.007059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.007059 (E_RNA) where: Base-Base interactions energy: -273.418 where: short stacking energy: -173.659 Base-Backbone interact. energy: 1.294 local terms energy: -278.882837 where: bonds (distance) C4'-P energy: -76.527 bonds (distance) P-C4' energy: -91.201 flat angles C4'-P-C4' energy: -66.259 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1770.207456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.207456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.207456 (E_RNA) where: Base-Base interactions energy: -1242.829 where: short stacking energy: -503.849 Base-Backbone interact. energy: 0.836 local terms energy: -528.215232 where: bonds (distance) C4'-P energy: -88.117 bonds (distance) P-C4' energy: -107.172 flat angles C4'-P-C4' energy: -109.583 flat angles P-C4'-P energy: -75.432 tors. eta vs tors. theta energy: -147.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1718.679731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.679731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.679731 (E_RNA) where: Base-Base interactions energy: -1209.458 where: short stacking energy: -517.921 Base-Backbone interact. energy: -4.963 local terms energy: -504.258819 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -84.777 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -140.873 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: 462 Temperature: 1.000000 Total energy: -1566.059955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.059955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.059955 (E_RNA) where: Base-Base interactions energy: -1112.356 where: short stacking energy: -453.784 Base-Backbone interact. energy: -2.060 local terms energy: -451.644052 where: bonds (distance) C4'-P energy: -88.415 bonds (distance) P-C4' energy: -80.991 flat angles C4'-P-C4' energy: -87.559 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: -122.518 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: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1563.055185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.055185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.055185 (E_RNA) where: Base-Base interactions energy: -1116.097 where: short stacking energy: -454.596 Base-Backbone interact. energy: -3.656 local terms energy: -443.302200 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -82.498 flat angles C4'-P-C4' energy: -100.564 flat angles P-C4'-P energy: -57.161 tors. eta vs tors. theta energy: -116.034 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: 462 Temperature: 1.100000 Total energy: -1472.509382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.509382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.509382 (E_RNA) where: Base-Base interactions energy: -1029.951 where: short stacking energy: -411.360 Base-Backbone interact. energy: -0.754 local terms energy: -441.804010 where: bonds (distance) C4'-P energy: -92.923 bonds (distance) P-C4' energy: -83.992 flat angles C4'-P-C4' energy: -94.152 flat angles P-C4'-P energy: -65.597 tors. eta vs tors. theta energy: -105.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1330.045956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.045956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.045956 (E_RNA) where: Base-Base interactions energy: -913.695 where: short stacking energy: -398.907 Base-Backbone interact. energy: 0.027 local terms energy: -416.377767 where: bonds (distance) C4'-P energy: -64.135 bonds (distance) P-C4' energy: -86.215 flat angles C4'-P-C4' energy: -100.591 flat angles P-C4'-P energy: -68.094 tors. eta vs tors. theta energy: -97.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1233.018448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.018448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.018448 (E_RNA) where: Base-Base interactions energy: -856.673 where: short stacking energy: -347.182 Base-Backbone interact. energy: -2.351 local terms energy: -373.993843 where: bonds (distance) C4'-P energy: -71.419 bonds (distance) P-C4' energy: -85.307 flat angles C4'-P-C4' energy: -79.983 flat angles P-C4'-P energy: -62.432 tors. eta vs tors. theta energy: -74.852 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: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1159.988383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.988383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.988383 (E_RNA) where: Base-Base interactions energy: -776.456 where: short stacking energy: -336.089 Base-Backbone interact. energy: -1.421 local terms energy: -382.111172 where: bonds (distance) C4'-P energy: -75.314 bonds (distance) P-C4' energy: -82.175 flat angles C4'-P-C4' energy: -87.568 flat angles P-C4'-P energy: -60.005 tors. eta vs tors. theta energy: -77.049 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: 462 Temperature: 1.300000 Total energy: -1035.575728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.575728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.575728 (E_RNA) where: Base-Base interactions energy: -699.556 where: short stacking energy: -307.858 Base-Backbone interact. energy: -2.533 local terms energy: -333.486908 where: bonds (distance) C4'-P energy: -77.374 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -75.117 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -66.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -510.339086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.339086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.339086 (E_RNA) where: Base-Base interactions energy: -258.709 where: short stacking energy: -159.233 Base-Backbone interact. energy: -0.097 local terms energy: -251.532642 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -54.569 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1767.118977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.118977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.118977 (E_RNA) where: Base-Base interactions energy: -1252.776 where: short stacking energy: -510.525 Base-Backbone interact. energy: -2.203 local terms energy: -512.140714 where: bonds (distance) C4'-P energy: -91.944 bonds (distance) P-C4' energy: -101.988 flat angles C4'-P-C4' energy: -107.027 flat angles P-C4'-P energy: -64.904 tors. eta vs tors. theta energy: -146.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1708.757851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.757851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.757851 (E_RNA) where: Base-Base interactions energy: -1197.150 where: short stacking energy: -503.223 Base-Backbone interact. energy: -2.979 local terms energy: -508.628316 where: bonds (distance) C4'-P energy: -90.525 bonds (distance) P-C4' energy: -85.953 flat angles C4'-P-C4' energy: -114.272 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: -145.953 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: 3, replica: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1588.165692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.165692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.165692 (E_RNA) where: Base-Base interactions energy: -1140.676 where: short stacking energy: -444.703 Base-Backbone interact. energy: 3.930 local terms energy: -451.419943 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -83.502 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -104.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1550.631997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.631997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.631997 (E_RNA) where: Base-Base interactions energy: -1095.298 where: short stacking energy: -419.324 Base-Backbone interact. energy: 4.957 local terms energy: -460.290936 where: bonds (distance) C4'-P energy: -93.591 bonds (distance) P-C4' energy: -91.195 flat angles C4'-P-C4' energy: -99.324 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -115.356 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: 463 Temperature: 1.100000 Total energy: -1475.826836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.826836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.826836 (E_RNA) where: Base-Base interactions energy: -1045.103 where: short stacking energy: -440.648 Base-Backbone interact. energy: -3.538 local terms energy: -427.185824 where: bonds (distance) C4'-P energy: -69.930 bonds (distance) P-C4' energy: -89.637 flat angles C4'-P-C4' energy: -100.950 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -113.845 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: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1356.637866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.637866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.637866 (E_RNA) where: Base-Base interactions energy: -942.341 where: short stacking energy: -379.976 Base-Backbone interact. energy: -3.799 local terms energy: -410.498044 where: bonds (distance) C4'-P energy: -72.791 bonds (distance) P-C4' energy: -89.792 flat angles C4'-P-C4' energy: -85.258 flat angles P-C4'-P energy: -54.402 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: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1240.518628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.518628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.518628 (E_RNA) where: Base-Base interactions energy: -845.039 where: short stacking energy: -357.819 Base-Backbone interact. energy: -1.707 local terms energy: -393.772730 where: bonds (distance) C4'-P energy: -76.400 bonds (distance) P-C4' energy: -76.995 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -82.668 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: 463 Temperature: 1.250000 Total energy: -1126.750033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.750033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.750033 (E_RNA) where: Base-Base interactions energy: -776.666 where: short stacking energy: -317.118 Base-Backbone interact. energy: 2.472 local terms energy: -352.556035 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -83.048 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -81.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1011.079519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.079519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.079519 (E_RNA) where: Base-Base interactions energy: -690.405 where: short stacking energy: -321.042 Base-Backbone interact. energy: 1.035 local terms energy: -321.710078 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -52.133 tors. eta vs tors. theta energy: -62.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -473.535012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.535012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.535012 (E_RNA) where: Base-Base interactions energy: -214.130 where: short stacking energy: -134.097 Base-Backbone interact. energy: -1.101 local terms energy: -258.303120 where: bonds (distance) C4'-P energy: -72.655 bonds (distance) P-C4' energy: -74.747 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: 2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1734.915040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.915040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.915040 (E_RNA) where: Base-Base interactions energy: -1238.530 where: short stacking energy: -503.039 Base-Backbone interact. energy: 2.858 local terms energy: -499.243097 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -89.912 flat angles C4'-P-C4' energy: -96.440 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -145.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1752.501073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.501073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.501073 (E_RNA) where: Base-Base interactions energy: -1215.089 where: short stacking energy: -492.086 Base-Backbone interact. energy: -5.954 local terms energy: -531.457557 where: bonds (distance) C4'-P energy: -105.903 bonds (distance) P-C4' energy: -98.291 flat angles C4'-P-C4' energy: -111.625 flat angles P-C4'-P energy: -71.096 tors. eta vs tors. theta energy: -144.542 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: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1592.600204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.600204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.600204 (E_RNA) where: Base-Base interactions energy: -1121.084 where: short stacking energy: -436.427 Base-Backbone interact. energy: -1.956 local terms energy: -469.560297 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -97.762 flat angles C4'-P-C4' energy: -98.244 flat angles P-C4'-P energy: -69.530 tors. eta vs tors. theta energy: -116.813 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: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1539.714315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.714315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.714315 (E_RNA) where: Base-Base interactions energy: -1097.393 where: short stacking energy: -450.173 Base-Backbone interact. energy: -4.604 local terms energy: -437.716965 where: bonds (distance) C4'-P energy: -71.908 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -97.340 flat angles P-C4'-P energy: -67.085 tors. eta vs tors. theta energy: -117.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1418.808900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.808900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.808900 (E_RNA) where: Base-Base interactions energy: -985.335 where: short stacking energy: -419.913 Base-Backbone interact. energy: -2.262 local terms energy: -431.211607 where: bonds (distance) C4'-P energy: -89.656 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -88.952 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -114.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1409.901452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.901452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.901452 (E_RNA) where: Base-Base interactions energy: -992.740 where: short stacking energy: -396.908 Base-Backbone interact. energy: -2.480 local terms energy: -414.681113 where: bonds (distance) C4'-P energy: -77.808 bonds (distance) P-C4' energy: -84.211 flat angles C4'-P-C4' energy: -93.336 flat angles P-C4'-P energy: -56.535 tors. eta vs tors. theta energy: -102.792 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: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1240.641270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.641270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.641270 (E_RNA) where: Base-Base interactions energy: -825.107 where: short stacking energy: -358.007 Base-Backbone interact. energy: -3.046 local terms energy: -412.488157 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -83.227 flat angles C4'-P-C4' energy: -91.399 flat angles P-C4'-P energy: -65.608 tors. eta vs tors. theta energy: -82.777 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: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1157.847634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.847634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.847634 (E_RNA) where: Base-Base interactions energy: -803.218 where: short stacking energy: -355.787 Base-Backbone interact. energy: -1.253 local terms energy: -353.376286 where: bonds (distance) C4'-P energy: -77.191 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -35.948 tors. eta vs tors. theta energy: -89.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -945.158603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.158603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.158603 (E_RNA) where: Base-Base interactions energy: -594.216 where: short stacking energy: -273.004 Base-Backbone interact. energy: 0.854 local terms energy: -351.797041 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -77.984 flat angles P-C4'-P energy: -41.773 tors. eta vs tors. theta energy: -58.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -546.251188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.251188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.251188 (E_RNA) where: Base-Base interactions energy: -287.752 where: short stacking energy: -134.030 Base-Backbone interact. energy: 0.109 local terms energy: -258.607731 where: bonds (distance) C4'-P energy: -79.576 bonds (distance) P-C4' energy: -72.310 flat angles C4'-P-C4' energy: -54.065 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1736.173157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.173157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.173157 (E_RNA) where: Base-Base interactions energy: -1205.511 where: short stacking energy: -502.534 Base-Backbone interact. energy: -1.558 local terms energy: -529.104385 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -111.612 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -150.957 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: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1722.871489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.871489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.871489 (E_RNA) where: Base-Base interactions energy: -1238.679 where: short stacking energy: -498.752 Base-Backbone interact. energy: -1.911 local terms energy: -482.280785 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -91.395 flat angles C4'-P-C4' energy: -97.572 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -141.124 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: 9 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1563.153904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.153904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.153904 (E_RNA) where: Base-Base interactions energy: -1119.024 where: short stacking energy: -451.026 Base-Backbone interact. energy: -2.553 local terms energy: -441.576737 where: bonds (distance) C4'-P energy: -85.035 bonds (distance) P-C4' energy: -93.467 flat angles C4'-P-C4' energy: -86.945 flat angles P-C4'-P energy: -58.312 tors. eta vs tors. theta energy: -117.818 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: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1553.834381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.834381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.834381 (E_RNA) where: Base-Base interactions energy: -1106.976 where: short stacking energy: -442.801 Base-Backbone interact. energy: -4.773 local terms energy: -442.085058 where: bonds (distance) C4'-P energy: -81.126 bonds (distance) P-C4' energy: -93.235 flat angles C4'-P-C4' energy: -87.707 flat angles P-C4'-P energy: -65.891 tors. eta vs tors. theta energy: -114.127 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: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1425.129508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.129508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.129508 (E_RNA) where: Base-Base interactions energy: -994.106 where: short stacking energy: -417.452 Base-Backbone interact. energy: -0.440 local terms energy: -430.583068 where: bonds (distance) C4'-P energy: -92.086 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -91.823 flat angles P-C4'-P energy: -58.127 tors. eta vs tors. theta energy: -120.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1432.166184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.166184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.166184 (E_RNA) where: Base-Base interactions energy: -1013.333 where: short stacking energy: -423.148 Base-Backbone interact. energy: -2.003 local terms energy: -416.830247 where: bonds (distance) C4'-P energy: -80.420 bonds (distance) P-C4' energy: -78.026 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -113.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1237.849854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.849854 (E_RNA) where: Base-Base interactions energy: -856.006 where: short stacking energy: -347.985 Base-Backbone interact. energy: -1.774 local terms energy: -380.069299 where: bonds (distance) C4'-P energy: -85.887 bonds (distance) P-C4' energy: -73.811 flat angles C4'-P-C4' energy: -92.135 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -73.999 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1143.627064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.627064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.627064 (E_RNA) where: Base-Base interactions energy: -766.445 where: short stacking energy: -338.487 Base-Backbone interact. energy: -0.356 local terms energy: -376.825263 where: bonds (distance) C4'-P energy: -80.937 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -87.229 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -77.712 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: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -932.584058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.584058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.584058 (E_RNA) where: Base-Base interactions energy: -601.977 where: short stacking energy: -263.697 Base-Backbone interact. energy: 0.358 local terms energy: -330.965235 where: bonds (distance) C4'-P energy: -73.152 bonds (distance) P-C4' energy: -90.770 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -37.115 tors. eta vs tors. theta energy: -49.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -578.089525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.089525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.089525 (E_RNA) where: Base-Base interactions energy: -310.643 where: short stacking energy: -165.231 Base-Backbone interact. energy: 0.268 local terms energy: -267.714978 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -82.600 flat angles C4'-P-C4' energy: -77.543 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1727.179912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.179912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.179912 (E_RNA) where: Base-Base interactions energy: -1216.968 where: short stacking energy: -494.806 Base-Backbone interact. energy: -2.730 local terms energy: -507.481540 where: bonds (distance) C4'-P energy: -94.958 bonds (distance) P-C4' energy: -92.553 flat angles C4'-P-C4' energy: -102.413 flat angles P-C4'-P energy: -80.696 tors. eta vs tors. theta energy: -136.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1720.887546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.887546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.887546 (E_RNA) where: Base-Base interactions energy: -1221.512 where: short stacking energy: -497.659 Base-Backbone interact. energy: -3.079 local terms energy: -496.296526 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -91.833 flat angles C4'-P-C4' energy: -105.376 flat angles P-C4'-P energy: -75.356 tors. eta vs tors. theta energy: -140.897 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: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1598.528701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.528701 (E_RNA) where: Base-Base interactions energy: -1122.219 where: short stacking energy: -432.270 Base-Backbone interact. energy: -3.802 local terms energy: -472.507265 where: bonds (distance) C4'-P energy: -94.660 bonds (distance) P-C4' energy: -93.689 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -63.161 tors. eta vs tors. theta energy: -114.494 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: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1532.524948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.524948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.524948 (E_RNA) where: Base-Base interactions energy: -1063.466 where: short stacking energy: -438.461 Base-Backbone interact. energy: -4.246 local terms energy: -464.812555 where: bonds (distance) C4'-P energy: -81.496 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -112.303 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -114.041 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: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1411.771132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.771132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.771132 (E_RNA) where: Base-Base interactions energy: -991.138 where: short stacking energy: -405.006 Base-Backbone interact. energy: 0.373 local terms energy: -421.006220 where: bonds (distance) C4'-P energy: -82.146 bonds (distance) P-C4' energy: -93.318 flat angles C4'-P-C4' energy: -84.864 flat angles P-C4'-P energy: -57.186 tors. eta vs tors. theta energy: -103.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1345.616135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.616135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.616135 (E_RNA) where: Base-Base interactions energy: -946.821 where: short stacking energy: -365.689 Base-Backbone interact. energy: -3.081 local terms energy: -395.713768 where: bonds (distance) C4'-P energy: -80.397 bonds (distance) P-C4' energy: -90.943 flat angles C4'-P-C4' energy: -83.696 flat angles P-C4'-P energy: -59.724 tors. eta vs tors. theta energy: -80.954 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: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1240.350897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.350897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.350897 (E_RNA) where: Base-Base interactions energy: -847.971 where: short stacking energy: -363.293 Base-Backbone interact. energy: 3.333 local terms energy: -395.712757 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -81.000 flat angles C4'-P-C4' energy: -84.108 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -90.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1145.674862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.674862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.674862 (E_RNA) where: Base-Base interactions energy: -809.767 where: short stacking energy: -339.149 Base-Backbone interact. energy: -1.870 local terms energy: -334.038013 where: bonds (distance) C4'-P energy: -66.071 bonds (distance) P-C4' energy: -71.648 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: -73.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -948.627637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.627637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.627637 (E_RNA) where: Base-Base interactions energy: -617.876 where: short stacking energy: -261.892 Base-Backbone interact. energy: -2.046 local terms energy: -328.705604 where: bonds (distance) C4'-P energy: -89.625 bonds (distance) P-C4' energy: -81.852 flat angles C4'-P-C4' energy: -67.587 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -42.262 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: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -614.840061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.840061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.840061 (E_RNA) where: Base-Base interactions energy: -345.972 where: short stacking energy: -212.201 Base-Backbone interact. energy: 0.408 local terms energy: -269.275391 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -74.057 flat angles C4'-P-C4' energy: -65.665 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1727.782286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.782286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.782286 (E_RNA) where: Base-Base interactions energy: -1220.119 where: short stacking energy: -508.379 Base-Backbone interact. energy: -4.169 local terms energy: -503.493763 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -101.092 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -74.848 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: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1704.807217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.807217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.807217 (E_RNA) where: Base-Base interactions energy: -1234.070 where: short stacking energy: -493.982 Base-Backbone interact. energy: 2.699 local terms energy: -473.436263 where: bonds (distance) C4'-P energy: -74.360 bonds (distance) P-C4' energy: -88.657 flat angles C4'-P-C4' energy: -106.770 flat angles P-C4'-P energy: -66.120 tors. eta vs tors. theta energy: -137.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1596.163727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.163727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.163727 (E_RNA) where: Base-Base interactions energy: -1138.393 where: short stacking energy: -465.525 Base-Backbone interact. energy: -4.038 local terms energy: -453.732756 where: bonds (distance) C4'-P energy: -77.140 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -98.727 flat angles P-C4'-P energy: -68.755 tors. eta vs tors. theta energy: -119.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1547.349877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.349877 (E_RNA) where: Base-Base interactions energy: -1097.889 where: short stacking energy: -439.627 Base-Backbone interact. energy: 2.254 local terms energy: -451.714081 where: bonds (distance) C4'-P energy: -73.644 bonds (distance) P-C4' energy: -95.621 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -61.061 tors. eta vs tors. theta energy: -117.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1402.372782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.372782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.372782 (E_RNA) where: Base-Base interactions energy: -991.541 where: short stacking energy: -414.765 Base-Backbone interact. energy: -0.207 local terms energy: -410.625049 where: bonds (distance) C4'-P energy: -79.879 bonds (distance) P-C4' energy: -76.721 flat angles C4'-P-C4' energy: -98.061 flat angles P-C4'-P energy: -63.568 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: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1383.102147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.102147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.102147 (E_RNA) where: Base-Base interactions energy: -965.654 where: short stacking energy: -388.464 Base-Backbone interact. energy: -3.194 local terms energy: -414.254486 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -89.027 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -95.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1214.128559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.128559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.128559 (E_RNA) where: Base-Base interactions energy: -816.311 where: short stacking energy: -346.968 Base-Backbone interact. energy: 3.099 local terms energy: -400.916783 where: bonds (distance) C4'-P energy: -85.801 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -86.655 flat angles P-C4'-P energy: -66.058 tors. eta vs tors. theta energy: -79.359 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: 467 Temperature: 1.250000 Total energy: -1149.525401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.525401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.525401 (E_RNA) where: Base-Base interactions energy: -764.710 where: short stacking energy: -323.444 Base-Backbone interact. energy: 1.457 local terms energy: -386.271759 where: bonds (distance) C4'-P energy: -77.875 bonds (distance) P-C4' energy: -74.327 flat angles C4'-P-C4' energy: -98.744 flat angles P-C4'-P energy: -58.023 tors. eta vs tors. theta energy: -77.302 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: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -971.891245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.891245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.891245 (E_RNA) where: Base-Base interactions energy: -645.008 where: short stacking energy: -285.166 Base-Backbone interact. energy: -0.264 local terms energy: -326.619145 where: bonds (distance) C4'-P energy: -64.237 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -80.315 flat angles P-C4'-P energy: -46.409 tors. eta vs tors. theta energy: -52.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -596.499981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.499981 (E_RNA) where: Base-Base interactions energy: -331.154 where: short stacking energy: -181.324 Base-Backbone interact. energy: -0.137 local terms energy: -265.208519 where: bonds (distance) C4'-P energy: -66.319 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -44.961 tors. eta vs tors. theta energy: -16.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1716.349621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.349621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.349621 (E_RNA) where: Base-Base interactions energy: -1186.040 where: short stacking energy: -483.936 Base-Backbone interact. energy: -6.732 local terms energy: -523.577159 where: bonds (distance) C4'-P energy: -94.944 bonds (distance) P-C4' energy: -98.459 flat angles C4'-P-C4' energy: -110.740 flat angles P-C4'-P energy: -77.443 tors. eta vs tors. theta energy: -141.990 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: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1734.535196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.535196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.535196 (E_RNA) where: Base-Base interactions energy: -1235.836 where: short stacking energy: -501.880 Base-Backbone interact. energy: -1.466 local terms energy: -497.232406 where: bonds (distance) C4'-P energy: -84.085 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -116.173 flat angles P-C4'-P energy: -67.549 tors. eta vs tors. theta energy: -140.705 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: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1609.364882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.364882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.364882 (E_RNA) where: Base-Base interactions energy: -1163.493 where: short stacking energy: -467.826 Base-Backbone interact. energy: 3.187 local terms energy: -449.059489 where: bonds (distance) C4'-P energy: -85.518 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -124.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1540.429677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.429677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.429677 (E_RNA) where: Base-Base interactions energy: -1097.755 where: short stacking energy: -446.950 Base-Backbone interact. energy: -2.494 local terms energy: -440.181150 where: bonds (distance) C4'-P energy: -85.325 bonds (distance) P-C4' energy: -69.586 flat angles C4'-P-C4' energy: -99.998 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: -113.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1407.245793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.245793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.245793 (E_RNA) where: Base-Base interactions energy: -1000.879 where: short stacking energy: -416.247 Base-Backbone interact. energy: -5.028 local terms energy: -401.338846 where: bonds (distance) C4'-P energy: -82.839 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -96.114 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -105.442 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: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1364.946320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.946320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.946320 (E_RNA) where: Base-Base interactions energy: -947.236 where: short stacking energy: -364.048 Base-Backbone interact. energy: 0.344 local terms energy: -418.054071 where: bonds (distance) C4'-P energy: -74.652 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -91.498 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -103.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1199.347775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.347775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.347775 (E_RNA) where: Base-Base interactions energy: -829.968 where: short stacking energy: -353.193 Base-Backbone interact. energy: 0.375 local terms energy: -369.754996 where: bonds (distance) C4'-P energy: -80.766 bonds (distance) P-C4' energy: -78.437 flat angles C4'-P-C4' energy: -83.380 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: -88.254 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: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1206.876892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.876892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.876892 (E_RNA) where: Base-Base interactions energy: -785.230 where: short stacking energy: -369.954 Base-Backbone interact. energy: 6.135 local terms energy: -427.781723 where: bonds (distance) C4'-P energy: -87.320 bonds (distance) P-C4' energy: -101.991 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -59.805 tors. eta vs tors. theta energy: -85.491 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: 468 Temperature: 1.300000 Total energy: -967.537285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.537285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.537285 (E_RNA) where: Base-Base interactions energy: -665.527 where: short stacking energy: -297.514 Base-Backbone interact. energy: -0.989 local terms energy: -301.021869 where: bonds (distance) C4'-P energy: -67.388 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -78.860 flat angles P-C4'-P energy: -33.780 tors. eta vs tors. theta energy: -52.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -597.608421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.608421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.608421 (E_RNA) where: Base-Base interactions energy: -322.548 where: short stacking energy: -182.739 Base-Backbone interact. energy: 0.646 local terms energy: -275.706334 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -71.538 flat angles C4'-P-C4' energy: -85.885 flat angles P-C4'-P energy: -36.663 tors. eta vs tors. theta energy: -14.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1716.425165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.425165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.425165 (E_RNA) where: Base-Base interactions energy: -1212.637 where: short stacking energy: -492.459 Base-Backbone interact. energy: 1.225 local terms energy: -505.013023 where: bonds (distance) C4'-P energy: -83.357 bonds (distance) P-C4' energy: -96.058 flat angles C4'-P-C4' energy: -107.265 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -134.531 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: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1745.923533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.923533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.923533 (E_RNA) where: Base-Base interactions energy: -1242.405 where: short stacking energy: -493.042 Base-Backbone interact. energy: -0.735 local terms energy: -502.783503 where: bonds (distance) C4'-P energy: -85.982 bonds (distance) P-C4' energy: -94.094 flat angles C4'-P-C4' energy: -112.608 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: -141.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1612.397495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.397495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.397495 (E_RNA) where: Base-Base interactions energy: -1125.281 where: short stacking energy: -450.053 Base-Backbone interact. energy: -3.282 local terms energy: -483.834965 where: bonds (distance) C4'-P energy: -97.550 bonds (distance) P-C4' energy: -103.146 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -121.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1562.907622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.907622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.907622 (E_RNA) where: Base-Base interactions energy: -1115.929 where: short stacking energy: -426.032 Base-Backbone interact. energy: -1.724 local terms energy: -445.255189 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -90.685 flat angles C4'-P-C4' energy: -103.002 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -109.290 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: 5, replica: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1458.009279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.009279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.009279 (E_RNA) where: Base-Base interactions energy: -988.292 where: short stacking energy: -444.834 Base-Backbone interact. energy: -4.291 local terms energy: -465.425914 where: bonds (distance) C4'-P energy: -83.780 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -106.709 flat angles P-C4'-P energy: -77.922 tors. eta vs tors. theta energy: -112.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1365.968059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.968059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.968059 (E_RNA) where: Base-Base interactions energy: -941.487 where: short stacking energy: -386.007 Base-Backbone interact. energy: -0.995 local terms energy: -423.486483 where: bonds (distance) C4'-P energy: -79.874 bonds (distance) P-C4' energy: -92.962 flat angles C4'-P-C4' energy: -99.797 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -100.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1180.354963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.354963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.354963 (E_RNA) where: Base-Base interactions energy: -800.025 where: short stacking energy: -330.758 Base-Backbone interact. energy: -2.011 local terms energy: -378.318443 where: bonds (distance) C4'-P energy: -79.666 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -89.003 flat angles P-C4'-P energy: -55.347 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: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1140.203633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.203633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.203633 (E_RNA) where: Base-Base interactions energy: -783.746 where: short stacking energy: -337.623 Base-Backbone interact. energy: -1.326 local terms energy: -355.132248 where: bonds (distance) C4'-P energy: -67.632 bonds (distance) P-C4' energy: -84.718 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -70.360 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: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1027.301827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.301827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.301827 (E_RNA) where: Base-Base interactions energy: -679.655 where: short stacking energy: -277.202 Base-Backbone interact. energy: -1.305 local terms energy: -346.341818 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -83.919 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -62.757 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: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -565.549392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.549392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.549392 (E_RNA) where: Base-Base interactions energy: -279.602 where: short stacking energy: -152.640 Base-Backbone interact. energy: -0.140 local terms energy: -285.807189 where: bonds (distance) C4'-P energy: -82.208 bonds (distance) P-C4' energy: -91.969 flat angles C4'-P-C4' energy: -57.183 flat angles P-C4'-P energy: -51.878 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1789.838944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.838944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.838944 (E_RNA) where: Base-Base interactions energy: -1269.276 where: short stacking energy: -522.994 Base-Backbone interact. energy: -4.518 local terms energy: -516.045224 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -103.934 flat angles C4'-P-C4' energy: -107.830 flat angles P-C4'-P energy: -79.204 tors. eta vs tors. theta energy: -139.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1705.768065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.768065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.768065 (E_RNA) where: Base-Base interactions energy: -1200.991 where: short stacking energy: -496.447 Base-Backbone interact. energy: 6.427 local terms energy: -511.203650 where: bonds (distance) C4'-P energy: -94.720 bonds (distance) P-C4' energy: -96.016 flat angles C4'-P-C4' energy: -110.418 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -138.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1604.159984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.159984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.159984 (E_RNA) where: Base-Base interactions energy: -1129.595 where: short stacking energy: -465.892 Base-Backbone interact. energy: -0.951 local terms energy: -473.613552 where: bonds (distance) C4'-P energy: -89.098 bonds (distance) P-C4' energy: -89.251 flat angles C4'-P-C4' energy: -105.777 flat angles P-C4'-P energy: -69.967 tors. eta vs tors. theta energy: -119.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1546.493286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.493286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.493286 (E_RNA) where: Base-Base interactions energy: -1093.772 where: short stacking energy: -428.848 Base-Backbone interact. energy: -3.958 local terms energy: -448.763249 where: bonds (distance) C4'-P energy: -95.342 bonds (distance) P-C4' energy: -74.635 flat angles C4'-P-C4' energy: -104.123 flat angles P-C4'-P energy: -65.282 tors. eta vs tors. theta energy: -109.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1443.345095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.345095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.345095 (E_RNA) where: Base-Base interactions energy: -1013.630 where: short stacking energy: -399.763 Base-Backbone interact. energy: -0.619 local terms energy: -429.096880 where: bonds (distance) C4'-P energy: -87.789 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -96.868 flat angles P-C4'-P energy: -52.600 tors. eta vs tors. theta energy: -103.410 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: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1416.544811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.544811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.544811 (E_RNA) where: Base-Base interactions energy: -999.116 where: short stacking energy: -432.568 Base-Backbone interact. energy: 1.310 local terms energy: -418.738700 where: bonds (distance) C4'-P energy: -68.607 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -89.255 flat angles P-C4'-P energy: -66.750 tors. eta vs tors. theta energy: -115.473 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: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1172.877420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.877420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.877420 (E_RNA) where: Base-Base interactions energy: -782.698 where: short stacking energy: -323.074 Base-Backbone interact. energy: 0.661 local terms energy: -390.839995 where: bonds (distance) C4'-P energy: -78.778 bonds (distance) P-C4' energy: -85.013 flat angles C4'-P-C4' energy: -88.142 flat angles P-C4'-P energy: -66.670 tors. eta vs tors. theta energy: -72.237 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: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1127.614328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.614328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.614328 (E_RNA) where: Base-Base interactions energy: -759.852 where: short stacking energy: -338.284 Base-Backbone interact. energy: -2.382 local terms energy: -365.379973 where: bonds (distance) C4'-P energy: -72.351 bonds (distance) P-C4' energy: -72.289 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -63.360 tors. eta vs tors. theta energy: -79.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1004.315016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.315016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.315016 (E_RNA) where: Base-Base interactions energy: -688.117 where: short stacking energy: -301.677 Base-Backbone interact. energy: 2.708 local terms energy: -318.906616 where: bonds (distance) C4'-P energy: -71.614 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -68.010 flat angles P-C4'-P energy: -56.453 tors. eta vs tors. theta energy: -43.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -595.094946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.094946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.094946 (E_RNA) where: Base-Base interactions energy: -331.197 where: short stacking energy: -189.683 Base-Backbone interact. energy: 3.931 local terms energy: -267.828850 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -66.688 flat angles C4'-P-C4' energy: -66.260 flat angles P-C4'-P energy: -44.103 tors. eta vs tors. theta energy: -5.777 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: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1784.458413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.458413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.458413 (E_RNA) where: Base-Base interactions energy: -1262.221 where: short stacking energy: -512.865 Base-Backbone interact. energy: -3.807 local terms energy: -518.430606 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -97.558 flat angles C4'-P-C4' energy: -107.877 flat angles P-C4'-P energy: -70.869 tors. eta vs tors. theta energy: -139.051 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: 2, replica: 3 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1696.317953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.317953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.317953 (E_RNA) where: Base-Base interactions energy: -1192.039 where: short stacking energy: -490.624 Base-Backbone interact. energy: -1.397 local terms energy: -502.882905 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -108.894 flat angles P-C4'-P energy: -78.485 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: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1628.465527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.465527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.465527 (E_RNA) where: Base-Base interactions energy: -1143.364 where: short stacking energy: -475.552 Base-Backbone interact. energy: -3.453 local terms energy: -481.649030 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -89.573 flat angles C4'-P-C4' energy: -107.770 flat angles P-C4'-P energy: -68.341 tors. eta vs tors. theta energy: -133.671 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: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1504.927688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.927688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.927688 (E_RNA) where: Base-Base interactions energy: -1058.321 where: short stacking energy: -417.596 Base-Backbone interact. energy: -2.269 local terms energy: -444.337818 where: bonds (distance) C4'-P energy: -82.524 bonds (distance) P-C4' energy: -89.474 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -70.627 tors. eta vs tors. theta energy: -103.449 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1417.094885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.094885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.094885 (E_RNA) where: Base-Base interactions energy: -988.483 where: short stacking energy: -393.301 Base-Backbone interact. energy: 1.662 local terms energy: -430.273923 where: bonds (distance) C4'-P energy: -89.309 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -90.382 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -103.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1439.094177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.094177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.094177 (E_RNA) where: Base-Base interactions energy: -1010.405 where: short stacking energy: -428.318 Base-Backbone interact. energy: 1.314 local terms energy: -430.003539 where: bonds (distance) C4'-P energy: -101.241 bonds (distance) P-C4' energy: -72.742 flat angles C4'-P-C4' energy: -93.153 flat angles P-C4'-P energy: -47.747 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: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1198.789991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.789991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.789991 (E_RNA) where: Base-Base interactions energy: -806.591 where: short stacking energy: -321.308 Base-Backbone interact. energy: -1.458 local terms energy: -390.740942 where: bonds (distance) C4'-P energy: -83.399 bonds (distance) P-C4' energy: -77.402 flat angles C4'-P-C4' energy: -87.625 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -83.630 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: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1141.943219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.943219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.943219 (E_RNA) where: Base-Base interactions energy: -758.132 where: short stacking energy: -341.809 Base-Backbone interact. energy: -1.700 local terms energy: -382.111322 where: bonds (distance) C4'-P energy: -71.087 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -49.377 tors. eta vs tors. theta energy: -74.966 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: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1010.263513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.263513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.263513 (E_RNA) where: Base-Base interactions energy: -681.726 where: short stacking energy: -305.413 Base-Backbone interact. energy: 0.953 local terms energy: -329.491268 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -71.434 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -53.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -645.101506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.101506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.101506 (E_RNA) where: Base-Base interactions energy: -369.329 where: short stacking energy: -194.696 Base-Backbone interact. energy: 0.165 local terms energy: -275.937330 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -82.835 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -18.118 tors. eta vs tors. theta energy: -13.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1750.140590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.140590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.140590 (E_RNA) where: Base-Base interactions energy: -1250.758 where: short stacking energy: -511.764 Base-Backbone interact. energy: -1.758 local terms energy: -497.624379 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -85.166 flat angles C4'-P-C4' energy: -109.667 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -137.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1713.321729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.321729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.321729 (E_RNA) where: Base-Base interactions energy: -1203.098 where: short stacking energy: -506.095 Base-Backbone interact. energy: -3.799 local terms energy: -506.425289 where: bonds (distance) C4'-P energy: -95.513 bonds (distance) P-C4' energy: -90.792 flat angles C4'-P-C4' energy: -114.175 flat angles P-C4'-P energy: -65.935 tors. eta vs tors. theta energy: -140.010 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1614.493172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.493172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.493172 (E_RNA) where: Base-Base interactions energy: -1122.295 where: short stacking energy: -446.513 Base-Backbone interact. energy: -4.180 local terms energy: -488.017783 where: bonds (distance) C4'-P energy: -94.448 bonds (distance) P-C4' energy: -94.352 flat angles C4'-P-C4' energy: -97.516 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: -134.959 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: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1516.401085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.401085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.401085 (E_RNA) where: Base-Base interactions energy: -1090.150 where: short stacking energy: -423.839 Base-Backbone interact. energy: -1.507 local terms energy: -424.744740 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -88.197 flat angles C4'-P-C4' energy: -98.199 flat angles P-C4'-P energy: -56.396 tors. eta vs tors. theta energy: -104.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1418.867709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.867709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.867709 (E_RNA) where: Base-Base interactions energy: -1009.760 where: short stacking energy: -403.053 Base-Backbone interact. energy: -1.947 local terms energy: -407.160273 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -88.059 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -95.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1400.814636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.814636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.814636 (E_RNA) where: Base-Base interactions energy: -984.693 where: short stacking energy: -423.293 Base-Backbone interact. energy: -0.913 local terms energy: -415.208079 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -80.521 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -68.381 tors. eta vs tors. theta energy: -112.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1236.490508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.490508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.490508 (E_RNA) where: Base-Base interactions energy: -828.895 where: short stacking energy: -341.954 Base-Backbone interact. energy: -2.359 local terms energy: -405.236799 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -81.050 flat angles C4'-P-C4' energy: -96.281 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1145.014001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.014001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.014001 (E_RNA) where: Base-Base interactions energy: -779.923 where: short stacking energy: -335.176 Base-Backbone interact. energy: -2.136 local terms energy: -362.955108 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -88.813 flat angles C4'-P-C4' energy: -75.542 flat angles P-C4'-P energy: -56.168 tors. eta vs tors. theta energy: -77.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -993.722477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.722477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.722477 (E_RNA) where: Base-Base interactions energy: -656.017 where: short stacking energy: -272.234 Base-Backbone interact. energy: 0.415 local terms energy: -338.120350 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -70.966 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -43.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -609.339363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.339363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.339363 (E_RNA) where: Base-Base interactions energy: -346.030 where: short stacking energy: -183.957 Base-Backbone interact. energy: -0.059 local terms energy: -263.250675 where: bonds (distance) C4'-P energy: -86.486 bonds (distance) P-C4' energy: -76.333 flat angles C4'-P-C4' energy: -67.490 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: 1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1759.240903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.240903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.240903 (E_RNA) where: Base-Base interactions energy: -1262.580 where: short stacking energy: -506.596 Base-Backbone interact. energy: 0.932 local terms energy: -497.592506 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -90.429 flat angles C4'-P-C4' energy: -113.325 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -138.879 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: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1684.538888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.538888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.538888 (E_RNA) where: Base-Base interactions energy: -1185.195 where: short stacking energy: -472.593 Base-Backbone interact. energy: -3.866 local terms energy: -495.477910 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -87.189 flat angles C4'-P-C4' energy: -108.412 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -137.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1615.210513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.210513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.210513 (E_RNA) where: Base-Base interactions energy: -1121.986 where: short stacking energy: -464.898 Base-Backbone interact. energy: -1.128 local terms energy: -492.096995 where: bonds (distance) C4'-P energy: -89.405 bonds (distance) P-C4' energy: -92.912 flat angles C4'-P-C4' energy: -103.274 flat angles P-C4'-P energy: -73.308 tors. eta vs tors. theta energy: -133.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1500.925885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.925885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.925885 (E_RNA) where: Base-Base interactions energy: -1052.822 where: short stacking energy: -426.454 Base-Backbone interact. energy: -2.200 local terms energy: -445.904280 where: bonds (distance) C4'-P energy: -81.762 bonds (distance) P-C4' energy: -93.812 flat angles C4'-P-C4' energy: -106.010 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: -107.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1441.022797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.022797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.022797 (E_RNA) where: Base-Base interactions energy: -1015.431 where: short stacking energy: -413.325 Base-Backbone interact. energy: -1.022 local terms energy: -424.569430 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -88.133 flat angles C4'-P-C4' energy: -82.319 flat angles P-C4'-P energy: -52.354 tors. eta vs tors. theta energy: -108.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1429.754740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.754740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.754740 (E_RNA) where: Base-Base interactions energy: -978.630 where: short stacking energy: -439.289 Base-Backbone interact. energy: -2.036 local terms energy: -449.089042 where: bonds (distance) C4'-P energy: -80.121 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -122.093 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: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1273.642883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.642883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.642883 (E_RNA) where: Base-Base interactions energy: -866.853 where: short stacking energy: -378.994 Base-Backbone interact. energy: 1.631 local terms energy: -408.420385 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -98.759 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -89.184 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: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1137.612627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.612627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.612627 (E_RNA) where: Base-Base interactions energy: -758.026 where: short stacking energy: -336.345 Base-Backbone interact. energy: -3.438 local terms energy: -376.148523 where: bonds (distance) C4'-P energy: -66.502 bonds (distance) P-C4' energy: -93.356 flat angles C4'-P-C4' energy: -84.943 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -83.715 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: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -960.363263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.363263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.363263 (E_RNA) where: Base-Base interactions energy: -641.096 where: short stacking energy: -294.366 Base-Backbone interact. energy: 0.264 local terms energy: -319.531074 where: bonds (distance) C4'-P energy: -79.165 bonds (distance) P-C4' energy: -74.943 flat angles C4'-P-C4' energy: -61.614 flat angles P-C4'-P energy: -53.045 tors. eta vs tors. theta energy: -50.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -619.120806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.120806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.120806 (E_RNA) where: Base-Base interactions energy: -354.700 where: short stacking energy: -190.847 Base-Backbone interact. energy: -0.649 local terms energy: -263.771576 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -59.755 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -8.356 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) out arg RESULTS//1/Science_glows-27e7444d_01 DONE DONE DONE DONE DONE DONE